1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

C15H18FN3O2S — CID 45250431

IUPAC1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN3O2S/c1-11-9-17-18-15(11)12-3-2-8-19(10-12)22(20,21)14-6-4-13(16)5-7-14/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18)
InChIKeyBCLZHPHXSIQVHH-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.43
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (PubChem CID 45250431) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
PubChem CID45250431
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN3O2S/c1-11-9-17-18-15(11)12-3-2-8-19(10-12)22(20,21)14-6-4-13(16)5-7-14/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18)
InChIKeyBCLZHPHXSIQVHH-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46236732
(4R,6R)-4,6-di(propan-2-yl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46883804
5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890761
(4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890816
7,7-difluoro-4-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890820
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 6624522
5-(4-Chlorophenylsulfonyl)-6-isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 16730475
5-(4-Chlorophenylsulfonyl)-6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 16730476
5-(4-Chlorophenylsulfonyl)-6-(3-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 46884370
CID 56679251
CID 56679251
(6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46884457
4,6-dicyclopropyl-7,7-difluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890818

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (CID 45250431) is 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is Cc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is BCLZHPHXSIQVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-11-9-17-18-15(11)12-3-2-8-19(10-12)22(20,21)14-6-4-13(16)5-7-14/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 323.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 45250431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).