1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide

C25H28N4O — CID 144862759

IUPAC1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCCC(CC)CNC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C25H28N4O/c1-4-6-19(5-2)17-27-25(30)23-15-24(21-11-7-18(3)8-12-21)29(28-23)22-13-9-20(16-26)10-14-22/h7-15,19H,4-6,17H2,1-3H3,(H,27,30)
InChIKeyUKGDFRRDHWWRSG-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.28
Rot. Bonds8

About 1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide

1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 144862759) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID144862759
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCCC(CC)CNC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C25H28N4O/c1-4-6-19(5-2)17-27-25(30)23-15-24(21-11-7-18(3)8-12-21)29(28-23)22-13-9-20(16-26)10-14-22/h7-15,19H,4-6,17H2,1-3H3,(H,27,30)
InChIKeyUKGDFRRDHWWRSG-UHFFFAOYSA-N
XLogP5.28
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate
CID 118142192
4-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrazol-5-yl]benzonitrile
CID 138473561
2,5-dimethyloctane;ethane;4-[3-formyl-5-(4-methylphenyl)pyrazol-1-yl]benzonitrile
CID 144862827
4-[3-[(3R)-3-(dimethylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrazol-5-yl]benzonitrile
CID 142544570
ethyl 1-[4-[[(2S)-2-ethylhexyl]carbamoyl]phenyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate
CID 92771961
4-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]benzonitrile
CID 118152156
ethyl 5-(4-cyanophenyl)-1-[4-(dimethylamino)phenyl]pyrazole-3-carboxylate;ethyl 5-(4-cyanophenyl)-1-(4-iodophenyl)pyrazole-3-carboxylate
CID 162257640
tert-butyl N-[(3S)-1-[5-(4-cyanophenyl)-1-(4-methylphenyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 142751380
5-(4-cyanophenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 118735618
4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide
CID 57334621
1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide
CID 110000266
ethyl 5-(4-cyanophenyl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143774

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide (CID 144862759) is 1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide is CCCC(CC)CNC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(C#N)cc2)n1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is UKGDFRRDHWWRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-4-6-19(5-2)17-27-25(30)23-15-24(21-11-7-18(3)8-12-21)29(28-23)22-13-9-20(16-26)10-14-22/h7-15,19H,4-6,17H2,1-3H3,(H,27,30).
What are the key properties of 1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide?
1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(2-ethylpentyl)-5-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 144862759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).