4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine

C10H13F4N3O2S — CID 141287514

IUPAC4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESCn1cc(S(=O)(=O)N2CCC(F)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H13F4N3O2S/c1-16-6-8(9(15-16)10(12,13)14)20(18,19)17-4-2-7(11)3-5-17/h6-7H,2-5H2,1H3
InChIKeyIBXCKUIMQCDCCL-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.56
Rot. Bonds2

About 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine

4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine (PubChem CID 141287514) has the molecular formula C10H13F4N3O2S and a molecular weight of 315.29 g/mol. Its IUPAC name is 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine.

Molecular Properties

Compound Name4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
PubChem CID141287514
Molecular FormulaC10H13F4N3O2S
Molecular Weight315.29 g/mol
Exact Mass315.07
IUPAC Name4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESCn1cc(S(=O)(=O)N2CCC(F)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H13F4N3O2S/c1-16-6-8(9(15-16)10(12,13)14)20(18,19)17-4-2-7(11)3-5-17/h6-7H,2-5H2,1H3
InChIKeyIBXCKUIMQCDCCL-UHFFFAOYSA-N
XLogP1.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine 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

1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine
CID 6465895
1,3-Dimethyl-4-[(4-propylpiperazinyl)sulfonyl]pyrazole
CID 6466875
1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 13342783
3-Methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 19620090
1-((1,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-piperidinamine
CID 25247406
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 2794561
1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485338
1-(difluoromethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485422
1-Ethyl-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024580
3-Methyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 19576914
1-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 50896808
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 66020430

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The IUPAC name of 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine (CID 141287514) is 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine.
What is the SMILES notation for 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The canonical SMILES for 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine is Cn1cc(S(=O)(=O)N2CCC(F)CC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The InChIKey is IBXCKUIMQCDCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O2S/c1-16-6-8(9(15-16)10(12,13)14)20(18,19)17-4-2-7(11)3-5-17/h6-7H,2-5H2,1H3.
What are the key properties of 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine has a molecular weight of 315.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine is sourced from PubChem (CID 141287514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).