(4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone

C23H23N3O2 — CID 154736556

IUPAC(4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1nn(-c2ccccc2)c2c1CCC2)N1CC(O)CC1c1ccccc1
InChIInChI=1S/C23H23N3O2/c27-18-14-21(16-8-3-1-4-9-16)25(15-18)23(28)22-19-12-7-13-20(19)26(24-22)17-10-5-2-6-11-17/h1-6,8-11,18,21,27H,7,12-15H2
InChIKeyOOQZFCTWLPVAJH-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.31
Rot. Bonds3

About (4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone

(4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 154736556) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
PubChem CID154736556
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1nn(-c2ccccc2)c2c1CCC2)N1CC(O)CC1c1ccccc1
InChIInChI=1S/C23H23N3O2/c27-18-14-21(16-8-3-1-4-9-16)25(15-18)23(28)22-19-12-7-13-20(19)26(24-22)17-10-5-2-6-11-17/h1-6,8-11,18,21,27H,7,12-15H2
InChIKeyOOQZFCTWLPVAJH-UHFFFAOYSA-N
XLogP3.31
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4R)-4-amino-2-phenylpyrrolidin-1-yl]-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 166243193
(4-hydroxypiperidin-1-yl)-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)methanone
CID 110895194
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 120657503
phenyl-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 46680389
(3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952050
(2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 120569634
(4-aminopiperidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone;hydrochloride
CID 119373981
[4-(methylamino)piperidin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119560961
(3-methylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119577575
[3-(aminomethyl)pyrrolidin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119484409
[(2S)-2-methylmorpholin-4-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 51448540
(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 16622795

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of (4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone (CID 154736556) is (4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for (4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone is O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CC(O)CC1c1ccccc1.
What is the InChIKey of (4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is OOQZFCTWLPVAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-18-14-21(16-8-3-1-4-9-16)25(15-18)23(28)22-19-12-7-13-20(19)26(24-22)17-10-5-2-6-11-17/h1-6,8-11,18,21,27H,7,12-15H2.
What are the key properties of (4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
(4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 154736556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).