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

C10H15F3N4O2S — CID 61114838

IUPAC5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H15F3N4O2S/c1-6(7-2-3-7)17(5-10(11,12)13)20(18,19)8-4-15-16-9(8)14/h4,6-7H,2-3,5H2,1H3,(H3,14,15,16)
InChIKeyNLOKHWIYHHITSQ-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.34
Rot. Bonds5

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

5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61114838) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is 5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID61114838
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC Name5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H15F3N4O2S/c1-6(7-2-3-7)17(5-10(11,12)13)20(18,19)8-4-15-16-9(8)14/h4,6-7H,2-3,5H2,1H3,(H3,14,15,16)
InChIKeyNLOKHWIYHHITSQ-UHFFFAOYSA-N
XLogP1.34
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 61114838) is 5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-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]c1N.
What is the InChIKey of 5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is NLOKHWIYHHITSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-6(7-2-3-7)17(5-10(11,12)13)20(18,19)8-4-15-16-9(8)14/h4,6-7H,2-3,5H2,1H3,(H3,14,15,16).
What are the key properties of 5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 312.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61114838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).