2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide

C19H16N6O — CID 134036061

IUPAC2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H16N6O/c26-19(18-13-22-25(23-18)17-9-5-2-6-10-17)20-11-15-12-21-24(14-15)16-7-3-1-4-8-16/h1-10,12-14H,11H2,(H,20,26)
InChIKeyXLSAOVGELDNAOP-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.38
Rot. Bonds5

About 2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide

2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 134036061) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID134036061
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H16N6O/c26-19(18-13-22-25(23-18)17-9-5-2-6-10-17)20-11-15-12-21-24(14-15)16-7-3-1-4-8-16/h1-10,12-14H,11H2,(H,20,26)
InChIKeyXLSAOVGELDNAOP-UHFFFAOYSA-N
XLogP2.38
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 9400525
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide
CID 122245691
2-phenyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]triazole-4-carboxamide
CID 46456875
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72851855
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64523664
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide
CID 122245887

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide (CID 134036061) is 2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide is O=C(NCc1cnn(-c2ccccc2)c1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is XLSAOVGELDNAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c26-19(18-13-22-25(23-18)17-9-5-2-6-10-17)20-11-15-12-21-24(14-15)16-7-3-1-4-8-16/h1-10,12-14H,11H2,(H,20,26).
What are the key properties of 2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide?
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 134036061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).