1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride

C21H29ClN4O — CID 120553819

IUPAC1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCc1ccc(-n2nc(C(=O)NC3CCNCC3C)c3c2CCC3)c(C)c1.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-13-7-8-18(14(2)11-13)25-19-6-4-5-16(19)20(24-25)21(26)23-17-9-10-22-12-15(17)3;/h7-8,11,15,17,22H,4-6,9-10,12H2,1-3H3,(H,23,26);1H
InChIKeyIBRVBIDYYAYIET-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.13
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride

1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 120553819) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
PubChem CID120553819
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCc1ccc(-n2nc(C(=O)NC3CCNCC3C)c3c2CCC3)c(C)c1.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-13-7-8-18(14(2)11-13)25-19-6-4-5-16(19)20(24-25)21(26)23-17-9-10-22-12-15(17)3;/h7-8,11,15,17,22H,4-6,9-10,12H2,1-3H3,(H,23,26);1H
InChIKeyIBRVBIDYYAYIET-UHFFFAOYSA-N
XLogP3.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride 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

1-(2,4-dimethylphenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 99696325
1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120599177
1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120556314
1-(2-methylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119428503
1-(2,4-dimethylphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120948985
1-(2,4-dimethylphenyl)-N-(1-hydroxy-2-oxopiperidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 155937760
1-(2,4-dimethylphenyl)-N-methyl-N-piperidin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119441897
[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570502
2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119348886
1-phenyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119450844
4-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119352765
(2R)-2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 119368975

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (CID 120553819) is 1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is Cc1ccc(-n2nc(C(=O)NC3CCNCC3C)c3c2CCC3)c(C)c1.Cl.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is IBRVBIDYYAYIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.ClH/c1-13-7-8-18(14(2)11-13)25-19-6-4-5-16(19)20(24-25)21(26)23-17-9-10-22-12-15(17)3;/h7-8,11,15,17,22H,4-6,9-10,12H2,1-3H3,(H,23,26);1H.
What are the key properties of 1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120553819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).