N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide

C19H23N5O — CID 146131887

IUPACN-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cnn(CCN2CCCCC2)c1
InChIInChI=1S/C19H23N5O/c1-15-5-6-16(12-20)11-18(15)22-19(25)17-13-21-24(14-17)10-9-23-7-3-2-4-8-23/h5-6,11,13-14H,2-4,7-10H2,1H3,(H,22,25)
InChIKeyUJIXZYYQNVSDSQ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.80
Rot. Bonds5

About N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide

N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 146131887) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID146131887
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cnn(CCN2CCCCC2)c1
InChIInChI=1S/C19H23N5O/c1-15-5-6-16(12-20)11-18(15)22-19(25)17-13-21-24(14-17)10-9-23-7-3-2-4-8-23/h5-6,11,13-14H,2-4,7-10H2,1H3,(H,22,25)
InChIKeyUJIXZYYQNVSDSQ-UHFFFAOYSA-N
XLogP2.80
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 71979949
N-(5-cyano-2-methylphenyl)azepane-1-carboxamide
CID 78983990
(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129479402
ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate
CID 79003972
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 66464924
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
4-acetyl-3-(2-piperidin-1-ylethylamino)benzonitrile
CID 133456182
N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 75476323
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607480
2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500472

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide (CID 146131887) is N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide is Cc1ccc(C#N)cc1NC(=O)c1cnn(CCN2CCCCC2)c1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is UJIXZYYQNVSDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-15-5-6-16(12-20)11-18(15)22-19(25)17-13-21-24(14-17)10-9-23-7-3-2-4-8-23/h5-6,11,13-14H,2-4,7-10H2,1H3,(H,22,25).
What are the key properties of N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146131887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).