2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide

C19H16ClN7O — CID 138989610

IUPAC2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)c1cnn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H16ClN7O/c20-15-2-1-3-16(12-15)27-22-13-17(24-27)19(28)23-18-7-11-26(25-18)10-6-14-4-8-21-9-5-14/h1-5,7-9,11-13H,6,10H2,(H,23,25,28)
InChIKeyBUHJUZILVPETKI-UHFFFAOYSA-N
MW393.84 g/mol
LogP3.01
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide

2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide (PubChem CID 138989610) has the molecular formula C19H16ClN7O and a molecular weight of 393.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
PubChem CID138989610
Molecular FormulaC19H16ClN7O
Molecular Weight393.84 g/mol
Exact Mass393.11
IUPAC Name2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)c1cnn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H16ClN7O/c20-15-2-1-3-16(12-15)27-22-13-17(24-27)19(28)23-18-7-11-26(25-18)10-6-14-4-8-21-9-5-14/h1-5,7-9,11-13H,6,10H2,(H,23,25,28)
InChIKeyBUHJUZILVPETKI-UHFFFAOYSA-N
XLogP3.01
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
CID 138989638
6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 51130808
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
CID 47091413
N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide
CID 18152599
1-hydroxy-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110924173
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111432604
ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 138989642
2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide
CID 49497172
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
4-bromo-5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 56561605
2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111332045
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475126

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide (CID 138989610) is 2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide is O=C(Nc1ccn(CCc2ccncc2)n1)c1cnn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide?
The InChIKey is BUHJUZILVPETKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7O/c20-15-2-1-3-16(12-15)27-22-13-17(24-27)19(28)23-18-7-11-26(25-18)10-6-14-4-8-21-9-5-14/h1-5,7-9,11-13H,6,10H2,(H,23,25,28).
What are the key properties of 2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide?
2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide has a molecular weight of 393.84 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 138989610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).