(5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone
TL;DR: (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone (CAS 31272-21-6) is a chemical compound with molecular formula C12H12FN3O and molecular weight 233.09644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone
Also Known As: FP nucleus, Fluorobenzoyl pyrazolyl nucleus, (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone, PD 71627, (5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl)methanone
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12FN3O |
| Molecular Weight | 233.09644 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.09644 Da |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
| SMILES | CC1=NN(C(=C1C(=O)C2=CC=CC=C2F)N)C |
| InChIKey | LMBRFPRUZRLJAW-UHFFFAOYSA-N |
Chemical Property Profile of (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone
Property Insights of (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone. Following Lipinski's Rule of Five, (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone has 1 hydrogen bond donor(s) and 4 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-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone?
The CAS number of (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone is 31272-21-6.
What is the molecular formula of (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone?
The molecular formula of (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone is C12H12FN3O.
What is the molecular weight of (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone?
The molecular weight of (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone is 233.09644 g/mol.
Where can I buy (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone?
You can request a quote for (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone?
Yes, CoreyChem provides custom synthesis services for (5-Amino-1,3-dimethylpyrazol-4-yl)-(2-fluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.