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

C21H28N4O — CID 120599177

IUPAC1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC3CCNC(C)C3)c3c2CCC3)c(C)c1
InChIInChI=1S/C21H28N4O/c1-13-7-8-18(14(2)11-13)25-19-6-4-5-17(19)20(24-25)21(26)23-16-9-10-22-15(3)12-16/h7-8,11,15-16,22H,4-6,9-10,12H2,1-3H3,(H,23,26)
InChIKeyLJHRKOBUXYMZNV-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.85
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 120599177) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID120599177
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC3CCNC(C)C3)c3c2CCC3)c(C)c1
InChIInChI=1S/C21H28N4O/c1-13-7-8-18(14(2)11-13)25-19-6-4-5-17(19)20(24-25)21(26)23-16-9-10-22-15(3)12-16/h7-8,11,15-16,22H,4-6,9-10,12H2,1-3H3,(H,23,26)
InChIKeyLJHRKOBUXYMZNV-UHFFFAOYSA-N
XLogP2.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120553819
1-(2,4-dimethylphenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 99696325
[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570502
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
4-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119352765
1-(2,4-dimethylphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120948985
2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119348886
N-(3-amino-2-methylpropyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119995427
1-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113643
1-(2-methylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119428503
cis-(1R,3S)-3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678955

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 120599177) is 1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NC3CCNC(C)C3)c3c2CCC3)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LJHRKOBUXYMZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-13-7-8-18(14(2)11-13)25-19-6-4-5-17(19)20(24-25)21(26)23-16-9-10-22-15(3)12-16/h7-8,11,15-16,22H,4-6,9-10,12H2,1-3H3,(H,23,26).
What are the key properties of 1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.85, 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-(2-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 120599177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).