N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C21H24N4O2 — CID 99780312

IUPACN-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N[C@H]3CCN(C4CC4)C3=O)c3c2CCC3)cc1
InChIInChI=1S/C21H24N4O2/c1-13-5-7-15(8-6-13)25-18-4-2-3-16(18)19(23-25)20(26)22-17-11-12-24(21(17)27)14-9-10-14/h5-8,14,17H,2-4,9-12H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyLCBSNADCGVEHAQ-KRWDZBQOSA-N
MW364.45 g/mol
LogP2.16
Rot. Bonds4

About N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 99780312) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID99780312
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N[C@H]3CCN(C4CC4)C3=O)c3c2CCC3)cc1
InChIInChI=1S/C21H24N4O2/c1-13-5-7-15(8-6-13)25-18-4-2-3-16(18)19(23-25)20(26)22-17-11-12-24(21(17)27)14-9-10-14/h5-8,14,17H,2-4,9-12H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyLCBSNADCGVEHAQ-KRWDZBQOSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-N-(1-hydroxy-2-oxopiperidin-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 155937760
cis-(1R,3S)-3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678955
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
[4-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119559896
1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55866998
[4-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119559895
2-[[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119223631
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
1-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 119166353
N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 146126250
N-[2-(methylamino)ethyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 119503192
(3aR,6aS)-5-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 128596945

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 99780312) is N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)N[C@H]3CCN(C4CC4)C3=O)c3c2CCC3)cc1.
What is the InChIKey of N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LCBSNADCGVEHAQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-5-7-15(8-6-13)25-18-4-2-3-16(18)19(23-25)20(26)22-17-11-12-24(21(17)27)14-9-10-14/h5-8,14,17H,2-4,9-12H2,1H3,(H,22,26)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 99780312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).