5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide

C22H32N4O — CID 30837416

IUPAC5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCN2CCC(C)CC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C22H32N4O/c1-4-21-20(16-24-26(21)19-8-6-17(2)7-9-19)22(27)23-12-5-13-25-14-10-18(3)11-15-25/h6-9,16,18H,4-5,10-15H2,1-3H3,(H,23,27)
InChIKeyICROUIMAPFXJMG-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.59
Rot. Bonds7

About 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide

5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide (PubChem CID 30837416) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide
PubChem CID30837416
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCN2CCC(C)CC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C22H32N4O/c1-4-21-20(16-24-26(21)19-8-6-17(2)7-9-19)22(27)23-12-5-13-25-14-10-18(3)11-15-25/h6-9,16,18H,4-5,10-15H2,1-3H3,(H,23,27)
InChIKeyICROUIMAPFXJMG-UHFFFAOYSA-N
XLogP3.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]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

5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 134034900
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55631633
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
5-ethyl-N-(4-methylcyclohexyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46582332
tert-butyl 4-[3-[(5-ethyl-1-phenylpyrazole-4-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55866016
N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 35417488
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55716702
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55660071
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31889145
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide (CID 30837416) is 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCCCN2CCC(C)CC2)cnn1-c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is ICROUIMAPFXJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-4-21-20(16-24-26(21)19-8-6-17(2)7-9-19)22(27)23-12-5-13-25-14-10-18(3)11-15-25/h6-9,16,18H,4-5,10-15H2,1-3H3,(H,23,27).
What are the key properties of 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide?
5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 30837416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).