3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole

C16H17FN2O2S — CID 155957185

IUPAC3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESO=S(=O)(Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C1CC1
InChIInChI=1S/C16H17FN2O2S/c17-11-4-6-12(7-5-11)19-16-3-1-2-14(16)15(18-19)10-22(20,21)13-8-9-13/h4-7,13H,1-3,8-10H2
InChIKeyJEKFDXTZMAUXHE-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.58
Rot. Bonds4

About 3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole

3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 155957185) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID155957185
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESO=S(=O)(Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C1CC1
InChIInChI=1S/C16H17FN2O2S/c17-11-4-6-12(7-5-11)19-16-3-1-2-14(16)15(18-19)10-22(20,21)13-8-9-13/h4-7,13H,1-3,8-10H2
InChIKeyJEKFDXTZMAUXHE-UHFFFAOYSA-N
XLogP2.58
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methylsulfonyl]propanamide
CID 126790563
1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909078
N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 71879525
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 51314027
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 167761102
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 166232098
1-(4-fluorophenyl)-3-[(1-methylimidazol-2-yl)sulfanylmethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 60591961
1-(4-fluorophenyl)-N-pentan-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17499040
3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 47080737
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 155957185) is 3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole is O=S(=O)(Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C1CC1.
What is the InChIKey of 3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is JEKFDXTZMAUXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-11-4-6-12(7-5-11)19-16-3-1-2-14(16)15(18-19)10-22(20,21)13-8-9-13/h4-7,13H,1-3,8-10H2.
What are the key properties of 3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 320.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 155957185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).