5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile
TL;DR: 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile (CAS 1030827-94-1) is a chemical compound with molecular formula C11H10FN5 and molecular weight 231.09203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile
Also Known As: 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile, 5-amino-3-[(4-fluoro-3-methylphenyl)amino]-1H-pyrazole-4-carbonitrile, 5-amino-3-(4-fluoro-3-methyl-anilino)-1H-pyrazole-4-carbonitrile, 3-amino-5-[(4-fluoro-3-methylphenyl)amino]-1H-pyrazole-4-carbonitrile, C11H10FN5
Technical Specifications
| Molecular Formula | C11H10FN5 |
| Molecular Weight | 231.09203 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.09203 Da |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
| SMILES | CC1=C(C=CC(=C1)NC2=NNC(=C2C#N)N)F |
| InChIKey | NIKFVJNQNOCOIO-UHFFFAOYSA-N |
Chemical Property Profile of 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile
Property Insights of 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile is 1030827-94-1.
What is the molecular formula of 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile is C11H10FN5.
What is the molecular weight of 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile is 231.09203 g/mol.
Where can I buy 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.