N-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide

C23H19N3O — CID 1329852

IUPACN-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H19N3O/c1-17-10-8-9-15-21(17)24-23(27)20-16-26(19-13-6-3-7-14-19)25-22(20)18-11-4-2-5-12-18/h2-16H,1H3,(H,24,27)
InChIKeyWPUPGDTVZIIABU-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.10
Rot. Bonds4

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

N-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 1329852) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID1329852
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC NameN-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H19N3O/c1-17-10-8-9-15-21(17)24-23(27)20-16-26(19-13-6-3-7-14-19)25-22(20)18-11-4-2-5-12-18/h2-16H,1H3,(H,24,27)
InChIKeyWPUPGDTVZIIABU-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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Related Compounds

CID 24958200
CID 24958200
CID 16095400
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CID 11688533
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CID 24958198
CID 24958198
CID 4962866
CID 4962866
CID 716930
CID 716930
CID 555820
CID 555820
CID 2808002
CID 2808002
CID 997622
CID 997622
CID 2063316
CID 2063316
CID 9820664
CID 9820664
CID 25158261
CID 25158261

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 1329852) is N-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide is Cc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is WPUPGDTVZIIABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17-10-8-9-15-21(17)24-23(27)20-16-26(19-13-6-3-7-14-19)25-22(20)18-11-4-2-5-12-18/h2-16H,1H3,(H,24,27).
What are the key properties of N-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(2-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-(2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 1329852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).