1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
TL;DR: 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile (CAS 146885-48-5) is a chemical compound with molecular formula C9H8N4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonitrile
Also Known As: Maybridge3_000113, 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile, 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonitrile, IDI1_011500, 1-methyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile
| Molecular Formula | C9H8N4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.08248 |
| Topological Polar Surface Area | 46.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.07489 |
| Heavy Atoms | 13 |
| Complexity | 444.41324 |
Chemical Identifiers
| CAS Number | 146885-48-5 |
|---|---|
| SMILES | CN1C(=C(C=N1)C#N)N2C=CC=C2 |
Product Overview
1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile (CAS 146885-48-5), with molecular formula C9H8N4 and molecular weight 172.07 g/mol. IUPAC: 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonitrile.
Chemical Property Profile of 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
Property Insights of 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
The XLogP value of 1.08248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 46.54 Ų, 1-methyl-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-methyl-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-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile?
The CAS number of 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile is 146885-48-5.
What is the molecular formula of 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile is C9H8N4.
What is the molecular weight of 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile is 172.07 g/mol.
Where can I buy 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 1-methyl-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-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.