(4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol

C10H11F5N2O3S — CID 168761782

IUPAC(4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol
SMILESCS(=O)(=O)CCn1nc(C(F)(F)F)c2c1CC(F)(F)[C@H]2O
InChIInChI=1S/C10H11F5N2O3S/c1-21(19,20)3-2-17-5-4-9(11,12)8(18)6(5)7(16-17)10(13,14)15/h8,18H,2-4H2,1H3/t8-/m0/s1
InChIKeyLSNJLIQKQRQNFZ-QMMMGPOBSA-N
MW334.27 g/mol
LogP1.17
Rot. Bonds3

About (4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol

(4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol (PubChem CID 168761782) has the molecular formula C10H11F5N2O3S and a molecular weight of 334.27 g/mol. Its IUPAC name is (4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol.

Molecular Properties

Compound Name(4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol
PubChem CID168761782
Molecular FormulaC10H11F5N2O3S
Molecular Weight334.27 g/mol
Exact Mass334.04
IUPAC Name(4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol
SMILESCS(=O)(=O)CCn1nc(C(F)(F)F)c2c1CC(F)(F)[C@H]2O
InChIInChI=1S/C10H11F5N2O3S/c1-21(19,20)3-2-17-5-4-9(11,12)8(18)6(5)7(16-17)10(13,14)15/h8,18H,2-4H2,1H3/t8-/m0/s1
InChIKeyLSNJLIQKQRQNFZ-QMMMGPOBSA-N
XLogP1.17
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-5,5-difluoro-3-(trifluoromethyl)-1-(2,3,3-trifluoropropyl)-6,7-dihydro-4H-indazol-4-ol
CID 175570711
(4S)-1-[(1R,3R)-4,4-difluoro-3-methoxycyclohexyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 168761928
1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 130210325
3-(2-fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole
CID 170239142
2-[5,5-difluoro-3-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid
CID 155337329
1-methylsulfonyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]piperidine-4-carboxamide
CID 90614885
2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 165499656
(2S,4R)-7-ethyl-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
CID 118971750
5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione
CID 76886990
3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole
CID 63810790
5,5-difluoro-1-(3-methylsulfonylphenyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
CID 162383346
(1S)-2,2-difluoro-4-(1-methoxypropan-2-yloxy)-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 134599237

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol?
The IUPAC name of (4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol (CID 168761782) is (4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol.
What is the SMILES notation for (4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol?
The canonical SMILES for (4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol is CS(=O)(=O)CCn1nc(C(F)(F)F)c2c1CC(F)(F)[C@H]2O.
What is the InChIKey of (4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol?
The InChIKey is LSNJLIQKQRQNFZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11F5N2O3S/c1-21(19,20)3-2-17-5-4-9(11,12)8(18)6(5)7(16-17)10(13,14)15/h8,18H,2-4H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol?
(4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol has a molecular weight of 334.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-difluoro-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol is sourced from PubChem (CID 168761782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).