1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide

C18H13ClN6O — CID 47045295

IUPAC1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)c1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H13ClN6O/c19-13-5-7-15(8-6-13)25-12-17(22-23-25)18(26)21-14-3-1-4-16(11-14)24-10-2-9-20-24/h1-12H,(H,21,26)
InChIKeyZWSDSABTUNUQDW-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.36
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide

1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide (PubChem CID 47045295) has the molecular formula C18H13ClN6O and a molecular weight of 364.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide
PubChem CID47045295
Molecular FormulaC18H13ClN6O
Molecular Weight364.80 g/mol
Exact Mass364.08
IUPAC Name1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)c1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H13ClN6O/c19-13-5-7-15(8-6-13)25-12-17(22-23-25)18(26)21-14-3-1-4-16(11-14)24-10-2-9-20-24/h1-12H,(H,21,26)
InChIKeyZWSDSABTUNUQDW-UHFFFAOYSA-N
XLogP3.36
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 71942422
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
1-(3-methylphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]triazole-4-carboxamide
CID 71880566
6-oxo-N-(3-pyrazol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 60779425
3-chloro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 146121578
6-oxo-1-phenyl-N-(3-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
CID 55766207
N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide
CID 46576505
N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
CID 46813346
1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746582
1-(3-chlorophenyl)-N-(3-oxo-1H-2-benzofuran-5-yl)triazole-4-carboxamide
CID 146132210
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide (CID 47045295) is 1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)c1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide?
The InChIKey is ZWSDSABTUNUQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O/c19-13-5-7-15(8-6-13)25-12-17(22-23-25)18(26)21-14-3-1-4-16(11-14)24-10-2-9-20-24/h1-12H,(H,21,26).
What are the key properties of 1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide?
1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide has a molecular weight of 364.80 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 47045295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).