N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C9H12F3N3O2S — CID 55009862

IUPACN-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H12F3N3O2S/c1-6-8(4-13-14-6)18(16,17)15(7-2-3-7)5-9(10,11)12/h4,7H,2-3,5H2,1H3,(H,13,14)
InChIKeyVVHPRMGLSHIFGG-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.43
Rot. Bonds4

About N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 55009862) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.27 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID55009862
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.27 g/mol
Exact Mass283.06
IUPAC NameN-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H12F3N3O2S/c1-6-8(4-13-14-6)18(16,17)15(7-2-3-7)5-9(10,11)12/h4,7H,2-3,5H2,1H3,(H,13,14)
InChIKeyVVHPRMGLSHIFGG-UHFFFAOYSA-N
XLogP1.43
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 55009862) is N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VVHPRMGLSHIFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c1-6-8(4-13-14-6)18(16,17)15(7-2-3-7)5-9(10,11)12/h4,7H,2-3,5H2,1H3,(H,13,14).
What are the key properties of N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 55009862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).