1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C20H18N6O — CID 18132485

IUPAC1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(Cn2cncn2)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H18N6O/c27-20(18-11-23-26(13-18)19-4-2-1-3-5-19)22-10-16-6-8-17(9-7-16)12-25-15-21-14-24-25/h1-9,11,13-15H,10,12H2,(H,22,27)
InChIKeyKCSLXLSJLQCULA-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.44
Rot. Bonds6

About 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 18132485) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID18132485
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(Cn2cncn2)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H18N6O/c27-20(18-11-23-26(13-18)19-4-2-1-3-5-19)22-10-16-6-8-17(9-7-16)12-25-15-21-14-24-25/h1-9,11,13-15H,10,12H2,(H,22,27)
InChIKeyKCSLXLSJLQCULA-UHFFFAOYSA-N
XLogP2.44
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18132348
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132522
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394848
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 38772539
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
3-cyclopropyl-1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 18132423
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 39302351
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24504538
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55556512

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 18132485) is 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is O=C(NCc1ccc(Cn2cncn2)cc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is KCSLXLSJLQCULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c27-20(18-11-23-26(13-18)19-4-2-1-3-5-19)22-10-16-6-8-17(9-7-16)12-25-15-21-14-24-25/h1-9,11,13-15H,10,12H2,(H,22,27).
What are the key properties of 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 18132485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).