5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride

C10H11ClF3N3O3S — CID 65370190

IUPAC5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
SMILESCN(CC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClF3N3O3S/c1-17(4-10(12,13)14)9(18)7-8(21(11,19)20)6(15-16-7)5-2-3-5/h5H,2-4H2,1H3,(H,15,16)
InChIKeyXRKZVDDFQPQXLJ-UHFFFAOYSA-N
MW345.73 g/mol
LogP1.85
Rot. Bonds4

About 5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride

5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65370190) has the molecular formula C10H11ClF3N3O3S and a molecular weight of 345.73 g/mol. Its IUPAC name is 5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
PubChem CID65370190
Molecular FormulaC10H11ClF3N3O3S
Molecular Weight345.73 g/mol
Exact Mass345.02
IUPAC Name5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
SMILESCN(CC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClF3N3O3S/c1-17(4-10(12,13)14)9(18)7-8(21(11,19)20)6(15-16-7)5-2-3-5/h5H,2-4H2,1H3,(H,15,16)
InChIKeyXRKZVDDFQPQXLJ-UHFFFAOYSA-N
XLogP1.85
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.73
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride (CID 65370190) is 5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride is CN(CC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1S(=O)(=O)Cl.
What is the InChIKey of 5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is XRKZVDDFQPQXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O3S/c1-17(4-10(12,13)14)9(18)7-8(21(11,19)20)6(15-16-7)5-2-3-5/h5H,2-4H2,1H3,(H,15,16).
What are the key properties of 5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride?
5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 345.73 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65370190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).