1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine

C10H14F3N3O2S — CID 175906065

IUPAC1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESCn1ncc(S(=O)(=O)N2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-15-9(10(11,12)13)8(7-14-15)19(17,18)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeyPAOKKSOOMZTCSX-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.61
Rot. Bonds2

About 1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine

1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine (PubChem CID 175906065) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
PubChem CID175906065
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESCn1ncc(S(=O)(=O)N2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-15-9(10(11,12)13)8(7-14-15)19(17,18)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeyPAOKKSOOMZTCSX-UHFFFAOYSA-N
XLogP1.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024754
3-Methyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 19576914
1-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 50896808

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The IUPAC name of 1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine (CID 175906065) is 1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The canonical SMILES for 1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine is Cn1ncc(S(=O)(=O)N2CCCCC2)c1C(F)(F)F.
What is the InChIKey of 1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The InChIKey is PAOKKSOOMZTCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-15-9(10(11,12)13)8(7-14-15)19(17,18)16-5-3-2-4-6-16/h7H,2-6H2,1H3.
What are the key properties of 1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine has a molecular weight of 297.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine is sourced from PubChem (CID 175906065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).