3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide

C17H22N4O — CID 110695203

IUPAC3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H22N4O/c1-12-16(13(2)20-19-12)17(22)18-14-6-8-15(9-7-14)21-10-4-3-5-11-21/h6-9H,3-5,10-11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyAEZMHDFVSZSBBH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.27
Rot. Bonds3

About 3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 110695203) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID110695203
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H22N4O/c1-12-16(13(2)20-19-12)17(22)18-14-6-8-15(9-7-14)21-10-4-3-5-11-21/h6-9H,3-5,10-11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyAEZMHDFVSZSBBH-UHFFFAOYSA-N
XLogP3.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-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-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 67114587
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7999169
1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862214
5-tert-butyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
CID 78887587
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide
CID 110766236
N-(2,3-dihydro-1H-indol-5-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 63253113
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824
N-[4-(azepan-1-yl)phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 9279016
3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 110862119

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide (CID 110695203) is 3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is AEZMHDFVSZSBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-16(13(2)20-19-12)17(22)18-14-6-8-15(9-7-14)21-10-4-3-5-11-21/h6-9H,3-5,10-11H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110695203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).