1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-
TL;DR: 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)- (CAS 116834-17-4) is a chemical compound with molecular formula C15H13N3O2 and molecular weight 267.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid
Also Known As: BB_SC-9115, 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-, 1-Phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic acid, 2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)acetic acid, 1H-Pyrazole-4-aceticacid, 1-phenyl-5-(1H-pyrrol-1-yl)-
Technical Specifications
| Molecular Formula | C15H13N3O2 |
| Molecular Weight | 267.10077 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 60.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.10077 Da |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
| SMILES | C1=CC=C(C=C1)N2C(=C(C=N2)CC(=O)O)N3C=CC=C3 |
| InChIKey | LPFNIPPCCXEEDT-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-
Property Insights of 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-. The TPSA of 60.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-. Following Lipinski's Rule of Five, 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-?
The CAS number of 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)- is 116834-17-4.
What is the molecular formula of 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-?
The molecular formula of 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)- is C15H13N3O2.
What is the molecular weight of 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-?
The molecular weight of 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)- is 267.10077 g/mol.
Where can I buy 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-?
You can request a quote for 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.