1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide

C19H25ClN4O — CID 30768138

IUPAC1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide
SMILESCCN1CCC(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1
InChIInChI=1S/C19H25ClN4O/c1-3-23-11-9-16(10-12-23)21-19(25)17-14(2)22-24(18(17)20)13-15-7-5-4-6-8-15/h4-8,16H,3,9-13H2,1-2H3,(H,21,25)
InChIKeyHEPUTKFSNOPQJI-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.11
Rot. Bonds5

About 1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide

1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide (PubChem CID 30768138) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide
PubChem CID30768138
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide
SMILESCCN1CCC(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1
InChIInChI=1S/C19H25ClN4O/c1-3-23-11-9-16(10-12-23)21-19(25)17-14(2)22-24(18(17)20)13-15-7-5-4-6-8-15/h4-8,16H,3,9-13H2,1-2H3,(H,21,25)
InChIKeyHEPUTKFSNOPQJI-UHFFFAOYSA-N
XLogP3.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-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

5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 55721141
1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 33024736
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 29213459
1-benzyl-5-chloro-3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 2567145
1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768096
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 55804022
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
1-benzyl-5-chloro-3-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 9227721
N-[2-(1-adamantyl)ethyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 26212147

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide (CID 30768138) is 1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide is CCN1CCC(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1.
What is the InChIKey of 1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide?
The InChIKey is HEPUTKFSNOPQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-3-23-11-9-16(10-12-23)21-19(25)17-14(2)22-24(18(17)20)13-15-7-5-4-6-8-15/h4-8,16H,3,9-13H2,1-2H3,(H,21,25).
What are the key properties of 1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 30768138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).