1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine

C10H15F3N4O2S — CID 61125152

IUPAC1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
SMILESCn1cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(N)n1
InChIInChI=1S/C10H15F3N4O2S/c1-16-6-8(9(14)15-16)20(18,19)17-4-2-3-7(5-17)10(11,12)13/h6-7H,2-5H2,1H3,(H2,14,15)
InChIKeyUWYXQICFKBCMSA-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.97
Rot. Bonds2

About 1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine

1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine (PubChem CID 61125152) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is 1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
PubChem CID61125152
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC Name1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
SMILESCn1cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(N)n1
InChIInChI=1S/C10H15F3N4O2S/c1-16-6-8(9(14)15-16)20(18,19)17-4-2-3-7(5-17)10(11,12)13/h6-7H,2-5H2,1H3,(H2,14,15)
InChIKeyUWYXQICFKBCMSA-UHFFFAOYSA-N
XLogP0.97
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-3-amine
CID 61225373
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine
CID 61106261
(3S)-1-(4,5-dimethyl-2-nitrophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 97003316
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 61126081
1-(2-tert-butyl-4-methylphenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 70913404
1-(3-amino-1-methylpyrazol-4-yl)sulfonylpyrrolidine-3-carboxamide
CID 114081675
(3S)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-(trifluoromethyl)piperidine
CID 35303035
3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline
CID 36506249
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-1-methylpyrazol-3-amine
CID 60814514
3-fluoro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 63322882
1-methylsulfonyl-3-(trifluoromethyl)piperidine
CID 3646972
1-(4-bromo-2-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 116528215

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
The IUPAC name of 1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine (CID 61125152) is 1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine.
What is the SMILES notation for 1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
The canonical SMILES for 1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine is Cn1cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(N)n1.
What is the InChIKey of 1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
The InChIKey is UWYXQICFKBCMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-16-6-8(9(14)15-16)20(18,19)17-4-2-3-7(5-17)10(11,12)13/h6-7H,2-5H2,1H3,(H2,14,15).
What are the key properties of 1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine has a molecular weight of 312.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine is sourced from PubChem (CID 61125152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).