3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide

C25H22ClN3O — CID 42759545

IUPAC3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2Cl)cc1C(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H22ClN3O/c1-29-24(17-23(28-29)20-14-8-9-15-21(20)26)25(30)27-22(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,27,30)
InChIKeyBNHBVTGGKWYBEK-UHFFFAOYSA-N
MW415.92 g/mol
LogP5.45
Rot. Bonds6

About 3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 42759545) has the molecular formula C25H22ClN3O and a molecular weight of 415.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide
PubChem CID42759545
Molecular FormulaC25H22ClN3O
Molecular Weight415.92 g/mol
Exact Mass415.15
IUPAC Name3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2Cl)cc1C(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H22ClN3O/c1-29-24(17-23(28-29)20-14-8-9-15-21(20)26)25(30)27-22(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,27,30)
InChIKeyBNHBVTGGKWYBEK-UHFFFAOYSA-N
XLogP5.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 5021989
N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4557755
1-(3,4-dichlorophenyl)-N-[(1S)-1,2-diphenylethyl]-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 98425704
3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide
CID 4693927
N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 32914872
(3R)-3-(2-chlorophenyl)-3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
CID 97215063
N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4273385
N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 93101162
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 110001692
N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 114300362
6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83588255

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide (CID 42759545) is 3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccccc2Cl)cc1C(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is BNHBVTGGKWYBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O/c1-29-24(17-23(28-29)20-14-8-9-15-21(20)26)25(30)27-22(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,27,30).
What are the key properties of 3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 415.92 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 42759545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).