1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide

C18H14N4O — CID 26245593

IUPAC1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C18H14N4O/c19-10-15-7-4-8-17(9-15)21-18(23)16-11-20-22(13-16)12-14-5-2-1-3-6-14/h1-9,11,13H,12H2,(H,21,23)
InChIKeyRYOKHUANEABKJT-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.06
Rot. Bonds4

About 1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide

1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide (PubChem CID 26245593) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
PubChem CID26245593
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C18H14N4O/c19-10-15-7-4-8-17(9-15)21-18(23)16-11-20-22(13-16)12-14-5-2-1-3-6-14/h1-9,11,13H,12H2,(H,21,23)
InChIKeyRYOKHUANEABKJT-UHFFFAOYSA-N
XLogP3.06
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(3-ethynylphenyl)pyrazole-4-carboxamide
CID 46540728
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-cyanobenzamide
CID 19404043
3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19411687
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 156596108
1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide
CID 110882308
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
CID 9324775
[2-(3-cyanoanilino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494605
4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 39853571
1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
CID 86996428
4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109048503

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide (CID 26245593) is 1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide is N#Cc1cccc(NC(=O)c2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of 1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide?
The InChIKey is RYOKHUANEABKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c19-10-15-7-4-8-17(9-15)21-18(23)16-11-20-22(13-16)12-14-5-2-1-3-6-14/h1-9,11,13H,12H2,(H,21,23).
What are the key properties of 1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide?
1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 26245593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).