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

C27H32N4O — CID 55866998

IUPAC1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC3CCN(Cc4ccccc4C)CC3)c3c2CCC3)cc1
InChIInChI=1S/C27H32N4O/c1-19-10-12-23(13-11-19)31-25-9-5-8-24(25)26(29-31)27(32)28-22-14-16-30(17-15-22)18-21-7-4-3-6-20(21)2/h3-4,6-7,10-13,22H,5,8-9,14-18H2,1-2H3,(H,28,32)
InChIKeyUHFPNOCUNYYEND-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.37
Rot. Bonds5

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

1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55866998) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55866998
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC3CCN(Cc4ccccc4C)CC3)c3c2CCC3)cc1
InChIInChI=1S/C27H32N4O/c1-19-10-12-23(13-11-19)31-25-9-5-8-24(25)26(29-31)27(32)28-22-14-16-30(17-15-22)18-21-7-4-3-6-20(21)2/h3-4,6-7,10-13,22H,5,8-9,14-18H2,1-2H3,(H,28,32)
InChIKeyUHFPNOCUNYYEND-UHFFFAOYSA-N
XLogP4.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55858352
cis-(1R,3S)-3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678955
1-(3,4-difluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55778022
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
N-(1-cyclopropylpiperidin-4-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 48673792
1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55705431
N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 99780312
[4-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119559896
methyl 4-[(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 86841540
[4-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119559895
N-(2-anilino-2-oxoethyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55957907
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55866998) is 1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NC3CCN(Cc4ccccc4C)CC3)c3c2CCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is UHFPNOCUNYYEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-19-10-12-23(13-11-19)31-25-9-5-8-24(25)26(29-31)27(32)28-22-14-16-30(17-15-22)18-21-7-4-3-6-20(21)2/h3-4,6-7,10-13,22H,5,8-9,14-18H2,1-2H3,(H,28,32).
What are the key properties of 1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55866998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).