3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

C18H12Cl2N6O — CID 78878381

IUPAC3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C18H12Cl2N6O/c19-12-7-3-1-5-10(12)14-9-15(24-23-14)17(27)22-18-21-16(25-26-18)11-6-2-4-8-13(11)20/h1-9H,(H,23,24)(H2,21,22,25,26,27)
InChIKeyGSNQKBJWVRPQOF-UHFFFAOYSA-N
MW399.24 g/mol
LogP4.42
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 78878381) has the molecular formula C18H12Cl2N6O and a molecular weight of 399.24 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID78878381
Molecular FormulaC18H12Cl2N6O
Molecular Weight399.24 g/mol
Exact Mass398.04
IUPAC Name3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C18H12Cl2N6O/c19-12-7-3-1-5-10(12)14-9-15(24-23-14)17(27)22-18-21-16(25-26-18)11-6-2-4-8-13(11)20/h1-9H,(H,23,24)(H2,21,22,25,26,27)
InChIKeyGSNQKBJWVRPQOF-UHFFFAOYSA-N
XLogP4.42
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (CID 78878381) is 3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is GSNQKBJWVRPQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N6O/c19-12-7-3-1-5-10(12)14-9-15(24-23-14)17(27)22-18-21-16(25-26-18)11-6-2-4-8-13(11)20/h1-9H,(H,23,24)(H2,21,22,25,26,27).
What are the key properties of 3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 399.24 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78878381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).