N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide

C14H22F3N3O3S — CID 167789303

IUPACN-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1c(C)nn(CC(C)(O)C(F)(F)F)c1C
InChIInChI=1S/C14H22F3N3O3S/c1-5-20(11-6-7-11)24(22,23)12-9(2)18-19(10(12)3)8-13(4,21)14(15,16)17/h11,21H,5-8H2,1-4H3
InChIKeyVAIOWDYETXUSPK-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.99
Rot. Bonds6

About N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide

N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 167789303) has the molecular formula C14H22F3N3O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID167789303
Molecular FormulaC14H22F3N3O3S
Molecular Weight369.41 g/mol
Exact Mass369.13
IUPAC NameN-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1c(C)nn(CC(C)(O)C(F)(F)F)c1C
InChIInChI=1S/C14H22F3N3O3S/c1-5-20(11-6-7-11)24(22,23)12-9(2)18-19(10(12)3)8-13(4,21)14(15,16)17/h11,21H,5-8H2,1-4H3
InChIKeyVAIOWDYETXUSPK-UHFFFAOYSA-N
XLogP1.99
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide (CID 167789303) is N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide is CCN(C1CC1)S(=O)(=O)c1c(C)nn(CC(C)(O)C(F)(F)F)c1C.
What is the InChIKey of N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is VAIOWDYETXUSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O3S/c1-5-20(11-6-7-11)24(22,23)12-9(2)18-19(10(12)3)8-13(4,21)14(15,16)17/h11,21H,5-8H2,1-4H3.
What are the key properties of N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide?
N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 369.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 167789303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).