1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
TL;DR: 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile (CAS 956370-45-9) is a chemical compound with molecular formula C15H12N4 and molecular weight 248.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile
Also Known As: 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile, 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile, 1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carbonitrile, 1-(3-methylphenyl)-5-(pyrrol-1-yl)pyrazole-4-carbonitrile
| Molecular Formula | C15H12N4 |
|---|---|
| Molecular Weight | 248.11 g/mol |
| LogP | 2.8431 |
| Topological Polar Surface Area | 46.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.1062 |
| Heavy Atoms | 19 |
| Complexity | 744.8011 |
Chemical Identifiers
| CAS Number | 956370-45-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=C(C=N2)C#N)N3C=CC=C3 |
Product Overview
1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile (CAS 956370-45-9), with molecular formula C15H12N4 and molecular weight 248.11 g/mol. IUPAC: 1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile.
Chemical Property Profile of 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
Property Insights of 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
The XLogP value of 2.8431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 46.54 Ų, 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile has 0 hydrogen bond donor(s) and 2 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 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile?
The CAS number of 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile is 956370-45-9.
What is the molecular formula of 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile is C15H12N4.
What is the molecular weight of 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile is 248.11 g/mol.
Where can I buy 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.