N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide

C24H21N3O — CID 2123436

IUPACN-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H21N3O/c1-17-10-9-11-18(2)22(17)25-24(28)21-16-27(20-14-7-4-8-15-20)26-23(21)19-12-5-3-6-13-19/h3-16H,1-2H3,(H,25,28)
InChIKeyPIRISAYGCSDIPC-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.41
Rot. Bonds4

About N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide

N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 2123436) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID2123436
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H21N3O/c1-17-10-9-11-18(2)22(17)25-24(28)21-16-27(20-14-7-4-8-15-20)26-23(21)19-12-5-3-6-13-19/h3-16H,1-2H3,(H,25,28)
InChIKeyPIRISAYGCSDIPC-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 2123436) is N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide is Cc1cccc(C)c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is PIRISAYGCSDIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-17-10-9-11-18(2)22(17)25-24(28)21-16-27(20-14-7-4-8-15-20)26-23(21)19-12-5-3-6-13-19/h3-16H,1-2H3,(H,25,28).
What are the key properties of N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 2123436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).