[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C23H22F2N4O3S — CID 39714960

IUPAC[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H22F2N4O3S/c24-17-7-1-3-9-20(17)29-19-10-5-6-16(19)22(26-29)23(30)27-12-14-28(15-13-27)33(31,32)21-11-4-2-8-18(21)25/h1-4,7-9,11H,5-6,10,12-15H2
InChIKeyQQSGHHVZNLKARO-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.79
Rot. Bonds4

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

[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 39714960) has the molecular formula C23H22F2N4O3S and a molecular weight of 472.52 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID39714960
Molecular FormulaC23H22F2N4O3S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC Name[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H22F2N4O3S/c24-17-7-1-3-9-20(17)29-19-10-5-6-16(19)22(26-29)23(30)27-12-14-28(15-13-27)33(31,32)21-11-4-2-8-18(21)25/h1-4,7-9,11H,5-6,10,12-15H2
InChIKeyQQSGHHVZNLKARO-UHFFFAOYSA-N
XLogP2.79
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 39705403
[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119559894
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 39033571
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 39475276
1-[4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521017
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119516871
2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 146095804
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 120815818
1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55688274
4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 119239139
4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-2-carboxamide
CID 49417558
[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 55862262

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 39714960) is [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is QQSGHHVZNLKARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3S/c24-17-7-1-3-9-20(17)29-19-10-5-6-16(19)22(26-29)23(30)27-12-14-28(15-13-27)33(31,32)21-11-4-2-8-18(21)25/h1-4,7-9,11H,5-6,10,12-15H2.
What are the key properties of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 472.52 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 39714960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).