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

C11H16F3N3O2S — CID 60959231

IUPACN-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C11H16F3N3O2S/c1-7-10(5-15-16-7)20(18,19)17(6-11(12,13)14)8(2)9-3-4-9/h5,8-9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyLAMBXWBOGBPWLU-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.07
Rot. Bonds5

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

N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60959231) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60959231
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC NameN-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C11H16F3N3O2S/c1-7-10(5-15-16-7)20(18,19)17(6-11(12,13)14)8(2)9-3-4-9/h5,8-9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyLAMBXWBOGBPWLU-UHFFFAOYSA-N
XLogP2.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60959231) is N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LAMBXWBOGBPWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-7-10(5-15-16-7)20(18,19)17(6-11(12,13)14)8(2)9-3-4-9/h5,8-9H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).