(3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine

C15H18FN3O2S — CID 95107377

IUPAC(3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC[C@@H](c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-2-3-12(10-19)15-9-14(17-18-15)11-4-6-13(16)7-5-11/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyFRENTSLDSFTGBA-GFCCVEGCSA-N
MW323.39 g/mol
LogP2.35
Rot. Bonds3

About (3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine

(3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine (PubChem CID 95107377) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is (3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name(3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine
PubChem CID95107377
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name(3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC[C@@H](c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-2-3-12(10-19)15-9-14(17-18-15)11-4-6-13(16)7-5-11/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyFRENTSLDSFTGBA-GFCCVEGCSA-N
XLogP2.35
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 10615437
(E)-2-[(8R)-8-[(3-fluorophenyl)methyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl]-N-[(1S)-1-phenylethyl]ethenesulfonamide
CID 25070947
3-(4-Fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384655
4-(5-Cyclohexyl-1H-pyrazol-3-yl)-1-phenethyl-piperidine
CID 10520941
1-Benzyl-4-(5-methyl-1H-pyrazol-3-yl)-piperidine
CID 10587140
4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine
CID 1482138
N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine
CID 10752767
3-(4-Fluorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 53185497
4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 66490820
4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 66490831
4-(3-phenyl-1H-pyrazol-5-yl)piperidine
CID 66490949
4-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 84195208

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine?
The IUPAC name of (3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine (CID 95107377) is (3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for (3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for (3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC[C@@H](c2cc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of (3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine?
The InChIKey is FRENTSLDSFTGBA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-2-3-12(10-19)15-9-14(17-18-15)11-4-6-13(16)7-5-11/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine?
(3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine has a molecular weight of 323.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 95107377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).