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

C15H18FN3O2S — CID 71836803

IUPAC4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-6-12(7-9-19)15-10-14(17-18-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,17,18)
InChIKeyQHAMWXKTCDDRQL-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.35
Rot. Bonds3

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

4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine (PubChem CID 71836803) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine
PubChem CID71836803
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-6-12(7-9-19)15-10-14(17-18-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,17,18)
InChIKeyQHAMWXKTCDDRQL-UHFFFAOYSA-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 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine (CID 71836803) is 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine?
The InChIKey is QHAMWXKTCDDRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-6-12(7-9-19)15-10-14(17-18-15)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,17,18).
What are the key properties of 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine?
4-[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 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 71836803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).