3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
TL;DR: 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 352318-79-7) is a chemical compound with molecular formula C16H14F3N5 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
Also Known As: 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-amino-3-(1-methyl-1H-pyrrol-2-yl)-1-phenyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrazole-4-carbonitrile, A2740/0116401, 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-3-pyrazoline-4-ca rbonitrile, 5-AMINO-3-(1-METHYL-1H-PYRROL-2-YL)-1-PHENYL-3-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL CYANIDE
| Molecular Formula | C16H14F3N5 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.12012 |
| Heavy Atoms | 24 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 352318-79-7 |
|---|---|
| SMILES | CN1C=CC=C1C2(C(=C(N(N2)C3=CC=CC=C3)N)C#N)C(F)(F)F |
| InChIKey | NXEPAOZYXLKMBK-UHFFFAOYSA-N |
Product Overview
3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 352318-79-7), with molecular formula C16H14F3N5 and molecular weight 333.12 g/mol. IUPAC: 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile.
Chemical Property Profile of 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
Property Insights of 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile has 2 hydrogen bond donor(s) and 7 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-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The CAS number of 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is 352318-79-7.
What is the molecular formula of 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is C16H14F3N5.
What is the molecular weight of 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is 333.12 g/mol.
Where can I buy 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-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 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-5-(1-methylpyrrol-2-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.