1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole

C9H12F3N3O2S — CID 10708091

IUPAC1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(S(=O)(=O)N2CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O2S/c1-14-6-7(8(13-14)9(10,11)12)18(16,17)15-4-2-3-5-15/h6H,2-5H2,1H3
InChIKeyZYZIUYXGELBDBM-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.22
Rot. Bonds2

About 1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole

1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole (PubChem CID 10708091) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole
PubChem CID10708091
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.27 g/mol
Exact Mass283.06
IUPAC Name1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(S(=O)(=O)N2CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O2S/c1-14-6-7(8(13-14)9(10,11)12)18(16,17)15-4-2-3-5-15/h6H,2-5H2,1H3
InChIKeyZYZIUYXGELBDBM-UHFFFAOYSA-N
XLogP1.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.22
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-sulfonyl chloride
CID 4635707
1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 13342783
3-Methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 19620090
N-cyclopentyl-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6468008
1-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 22203950
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole (CID 10708091) is 1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole is Cn1cc(S(=O)(=O)N2CCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole?
The InChIKey is ZYZIUYXGELBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c1-14-6-7(8(13-14)9(10,11)12)18(16,17)15-4-2-3-5-15/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole?
1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole has a molecular weight of 283.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10708091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).