3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
TL;DR: 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid (CAS 381679-93-2) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzyl-3,5-dimethylpyrazol-4-yl)propanoic acid
Also Known As: 3-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid, ChemDiv2_003375, CBKinase1_001839, CBKinase1_014239, 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-propionic acid
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 381679-93-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2)C)CCC(=O)O |
| InChIKey | QERVLMFEJQUIMV-UHFFFAOYSA-N |
Product Overview
3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid (CAS 381679-93-2), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: 3-(1-benzyl-3,5-dimethylpyrazol-4-yl)propanoic acid.
Chemical Property Profile of 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
Property Insights of 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid 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
Frequently Asked Questions
What is the CAS number of 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The CAS number of 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid is 381679-93-2.
What is the molecular formula of 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The molecular formula of 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid is C15H18N2O2.
What is the molecular weight of 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The molecular weight of 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid is 258.14 g/mol.
Where can I buy 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
You can request a quote for 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.