2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine

C16H18F3N3O3S — CID 146100837

IUPAC2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine
SMILESCn1cc(C2CCCCN2S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C16H18F3N3O3S/c1-21-11-12(10-20-21)15-7-2-3-8-22(15)26(23,24)14-6-4-5-13(9-14)25-16(17,18)19/h4-6,9-11,15H,2-3,7-8H2,1H3
InChIKeyNXCYVJQHQQKVGH-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.23
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine

2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine (PubChem CID 146100837) has the molecular formula C16H18F3N3O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine
PubChem CID146100837
Molecular FormulaC16H18F3N3O3S
Molecular Weight389.40 g/mol
Exact Mass389.10
IUPAC Name2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine
SMILESCn1cc(C2CCCCN2S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C16H18F3N3O3S/c1-21-11-12(10-20-21)15-7-2-3-8-22(15)26(23,24)14-6-4-5-13(9-14)25-16(17,18)19/h4-6,9-11,15H,2-3,7-8H2,1H3
InChIKeyNXCYVJQHQQKVGH-UHFFFAOYSA-N
XLogP3.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 87052108
3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide
CID 167932683
2-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
CID 46799982
N-(dimethylamino-oxo-phenyl-λ6-sulfanylidene)-2-(1-methylpyrazol-4-yl)piperidine-1-sulfonamide
CID 167751529
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
N-[(1S,2R)-2-methylcyclohexyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25497341
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol
CID 107225119
8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline
CID 167796154
N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
CID 112812725
N-(5-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32697328
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975025

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine (CID 146100837) is 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine is Cn1cc(C2CCCCN2S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The InChIKey is NXCYVJQHQQKVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3S/c1-21-11-12(10-20-21)15-7-2-3-8-22(15)26(23,24)14-6-4-5-13(9-14)25-16(17,18)19/h4-6,9-11,15H,2-3,7-8H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine?
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine has a molecular weight of 389.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine is sourced from PubChem (CID 146100837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).