3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide

C17H15N3O — CID 749930

IUPAC3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C17H15N3O/c1-12-7-9-13(10-8-12)15-11-16(20-19-15)17(21)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyNRGYMQASGDYITO-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.64
Rot. Bonds3

About 3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide

3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 749930) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide
PubChem CID749930
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C17H15N3O/c1-12-7-9-13(10-8-12)15-11-16(20-19-15)17(21)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyNRGYMQASGDYITO-UHFFFAOYSA-N
XLogP3.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide (CID 749930) is 3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccccc3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is NRGYMQASGDYITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-7-9-13(10-8-12)15-11-16(20-19-15)17(21)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide?
3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 749930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).