1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine

C11H17F2N3O2S — CID 19614513

IUPAC1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine
SMILESCc1c(S(=O)(=O)N2CCCC(C)C2)cnn1C(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-8-4-3-5-15(7-8)19(17,18)10-6-14-16(9(10)2)11(12)13/h6,8,11H,3-5,7H2,1-2H3
InChIKeyZTVJBJWMCPPWDJ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.01
Rot. Bonds3

About 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine

1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine (PubChem CID 19614513) has the molecular formula C11H17F2N3O2S and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine
PubChem CID19614513
Molecular FormulaC11H17F2N3O2S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Name1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine
SMILESCc1c(S(=O)(=O)N2CCCC(C)C2)cnn1C(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-8-4-3-5-15(7-8)19(17,18)10-6-14-16(9(10)2)11(12)13/h6,8,11H,3-5,7H2,1-2H3
InChIKeyZTVJBJWMCPPWDJ-UHFFFAOYSA-N
XLogP2.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.01
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-((1,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-piperidinamine
CID 25247406
3-Methyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 19576914
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 4469354
1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681198
1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 13630088
1-Isobutyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 19620107
1-(2,2-difluoroethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 19622862
1-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247405
1-((1-(Difluoromethyl)-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperazine
CID 19620796
4-(1,5-Dimethylpyrazol-4-yl)sulfonyl-1-methyl-1,4-diazaspiro[5.5]undecane
CID 126820623

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine?
The IUPAC name of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine (CID 19614513) is 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine is Cc1c(S(=O)(=O)N2CCCC(C)C2)cnn1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine?
The InChIKey is ZTVJBJWMCPPWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S/c1-8-4-3-5-15(7-8)19(17,18)10-6-14-16(9(10)2)11(12)13/h6,8,11H,3-5,7H2,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine?
1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine has a molecular weight of 293.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-3-methylpiperidine is sourced from PubChem (CID 19614513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).