1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole

C10H15F2N3O2S — CID 19582799

IUPAC1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H15F2N3O2S/c1-7-9(8(2)15(13-7)10(11)12)18(16,17)14-5-3-4-6-14/h10H,3-6H2,1-2H3
InChIKeyPHCSHSASZIGZCQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.68
Rot. Bonds3

About 1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole

1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole (PubChem CID 19582799) has the molecular formula C10H15F2N3O2S and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole
PubChem CID19582799
Molecular FormulaC10H15F2N3O2S
Molecular Weight279.31 g/mol
Exact Mass279.09
IUPAC Name1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H15F2N3O2S/c1-7-9(8(2)15(13-7)10(11)12)18(16,17)14-5-3-4-6-14/h10H,3-6H2,1-2H3
InChIKeyPHCSHSASZIGZCQ-UHFFFAOYSA-N
XLogP1.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole (CID 19582799) is 1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole is Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The InChIKey is PHCSHSASZIGZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2S/c1-7-9(8(2)15(13-7)10(11)12)18(16,17)14-5-3-4-6-14/h10H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole?
1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole has a molecular weight of 279.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole is sourced from PubChem (CID 19582799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).