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

C22H24N6O — CID 55705431

IUPAC1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H24N6O/c29-21(25-16-10-14-27(15-11-16)22-23-12-5-13-24-22)20-18-8-4-9-19(18)28(26-20)17-6-2-1-3-7-17/h1-3,5-7,12-13,16H,4,8-11,14-15H2,(H,25,29)
InChIKeyCZAFGTGWVRPFRE-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.55
Rot. Bonds4

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

1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55705431) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55705431
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H24N6O/c29-21(25-16-10-14-27(15-11-16)22-23-12-5-13-24-22)20-18-8-4-9-19(18)28(26-20)17-6-2-1-3-7-17/h1-3,5-7,12-13,16H,4,8-11,14-15H2,(H,25,29)
InChIKeyCZAFGTGWVRPFRE-UHFFFAOYSA-N
XLogP2.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide with MolForge

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Related Compounds

1-phenyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119450844
methyl 4-[(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 86841540
1-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55858352
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
[4-(methylamino)piperidin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119560961
1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55502112
5-methyl-N-[1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 49358427
1-(4-methylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55866998
N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483
4-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230031
N-cyclohexyl-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39397284
4-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229458

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55705431) is 1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(NC1CCN(c2ncccn2)CC1)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is CZAFGTGWVRPFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-21(25-16-10-14-27(15-11-16)22-23-12-5-13-24-22)20-18-8-4-9-19(18)28(26-20)17-6-2-1-3-7-17/h1-3,5-7,12-13,16H,4,8-11,14-15H2,(H,25,29).
What are the key properties of 1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55705431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).