N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide

C17H15N3O — CID 118709026

IUPACN-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)n1cccn1
InChIInChI=1S/C17H15N3O/c21-17(20-12-4-11-19-20)18-13-14-7-9-16(10-8-14)15-5-2-1-3-6-15/h1-12H,13H2,(H,18,21)
InChIKeyVLZFHYZLZRLJGN-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.31
Rot. Bonds3

About N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide

N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 118709026) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide
PubChem CID118709026
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)n1cccn1
InChIInChI=1S/C17H15N3O/c21-17(20-12-4-11-19-20)18-13-14-7-9-16(10-8-14)15-5-2-1-3-6-15/h1-12H,13H2,(H,18,21)
InChIKeyVLZFHYZLZRLJGN-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-Phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526559
3-(2''-chlorobiphenyl-4-yl)-1H-pyrazole-1-carboxamide
CID 49866005
6-oxo-N-[(4-phenylphenyl)methyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231439
(4-Benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
CID 118526402
4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526497
4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526618
[4-(Naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118526755
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526772
4-cyano-N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526846
(4-Methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 118526861
4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526906

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide (CID 118709026) is N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide is O=C(NCc1ccc(-c2ccccc2)cc1)n1cccn1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is VLZFHYZLZRLJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(20-12-4-11-19-20)18-13-14-7-9-16(10-8-14)15-5-2-1-3-6-15/h1-12H,13H2,(H,18,21).
What are the key properties of N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide?
N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 118709026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).