N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide

C23H19N3O — CID 3510494

IUPACN-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O/c1-17-9-8-12-19(15-17)24-23(27)21-16-26(20-13-6-3-7-14-20)25-22(21)18-10-4-2-5-11-18/h2-16H,1H3,(H,24,27)
InChIKeyALCYRTJAWJYDPJ-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.10
Rot. Bonds4

About N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide

N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 3510494) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID3510494
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC NameN-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O/c1-17-9-8-12-19(15-17)24-23(27)21-16-26(20-13-6-3-7-14-20)25-22(21)18-10-4-2-5-11-18/h2-16H,1H3,(H,24,27)
InChIKeyALCYRTJAWJYDPJ-UHFFFAOYSA-N
XLogP5.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 3510494) is N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide is Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is ALCYRTJAWJYDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17-9-8-12-19(15-17)24-23(27)21-16-26(20-13-6-3-7-14-20)25-22(21)18-10-4-2-5-11-18/h2-16H,1H3,(H,24,27).
What are the key properties of N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 3510494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).