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

C10H14F3N3O2S — CID 54876542

IUPACN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O2S/c1-7(8-2-3-8)16(6-10(11,12)13)19(17,18)9-4-14-15-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChIKeyBAFCAJATLYOWAU-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.76
Rot. Bonds5

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

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54876542) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54876542
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O2S/c1-7(8-2-3-8)16(6-10(11,12)13)19(17,18)9-4-14-15-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChIKeyBAFCAJATLYOWAU-UHFFFAOYSA-N
XLogP1.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 54876542) is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is BAFCAJATLYOWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-7(8-2-3-8)16(6-10(11,12)13)19(17,18)9-4-14-15-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54876542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).