3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile
TL;DR: 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile (CAS 35131-90-9) is a chemical compound with molecular formula C12H9N5 and molecular weight 223.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-(1H-indol-3-yl)-1H-pyrazole-4-carbonitrile
Also Known As: 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile, 3-Amino-5-(1H-indol-3-yl)-1H-pyrazole-4-carbonitrile, J1.396.036D, 3-Amino-5-(1H-indol-3-yl)-1H-pyrazole-4-carbonitrile #, 3-Amino-5-(1H-indole-3-yl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C12H9N5 |
|---|---|
| Molecular Weight | 223.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.0858 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 35131-90-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C3=C(C(=NN3)N)C#N |
| InChIKey | LGZUVXUQOFFIEY-UHFFFAOYSA-N |
Product Overview
3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile (CAS 35131-90-9), with molecular formula C12H9N5 and molecular weight 223.09 g/mol. IUPAC: 3-amino-5-(1H-indol-3-yl)-1H-pyrazole-4-carbonitrile.
Chemical Property Profile of 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile
Property Insights of 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile. Following Lipinski's Rule of Five, 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile has 3 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-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile?
The CAS number of 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile is 35131-90-9.
What is the molecular formula of 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile?
The molecular formula of 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile is C12H9N5.
What is the molecular weight of 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile?
The molecular weight of 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile is 223.09 g/mol.
Where can I buy 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile?
You can request a quote for 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-(3-indolyl)-4-pyrazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.