(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone

C16H18FN3O3S — CID 27452937

IUPAC(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone
SMILESCc1nn(C(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H18FN3O3S/c1-11-15(24(22,23)19-9-3-4-10-19)12(2)20(18-11)16(21)13-5-7-14(17)8-6-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyANWLGKRZIGMQLW-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.11
Rot. Bonds3

About (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone

(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone (PubChem CID 27452937) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone
PubChem CID27452937
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone
SMILESCc1nn(C(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H18FN3O3S/c1-11-15(24(22,23)19-9-3-4-10-19)12(2)20(18-11)16(21)13-5-7-14(17)8-6-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyANWLGKRZIGMQLW-UHFFFAOYSA-N
XLogP2.11
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone (CID 27452937) is (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone is Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCCC1.
What is the InChIKey of (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone?
The InChIKey is ANWLGKRZIGMQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-11-15(24(22,23)19-9-3-4-10-19)12(2)20(18-11)16(21)13-5-7-14(17)8-6-13/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone?
(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone has a molecular weight of 351.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 27452937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).