N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C17H23N3O3S — CID 71806386

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C17H23N3O3S/c1-12-16(13(2)20(3)19-12)24(22,23)18-11-17(21,15-9-10-15)14-7-5-4-6-8-14/h4-8,15,18,21H,9-11H2,1-3H3
InChIKeyYXSYSTQVJDNFJZ-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.61
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806386) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806386
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C17H23N3O3S/c1-12-16(13(2)20(3)19-12)24(22,23)18-11-17(21,15-9-10-15)14-7-5-4-6-8-14/h4-8,15,18,21H,9-11H2,1-3H3
InChIKeyYXSYSTQVJDNFJZ-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806357
(S)-2-[(1-methyl-3,5-dimethyl-4-pyrazolylsulfonylamino)methyl]-1,2,3,4-tetrahydro-2-naphthol
CID 97355235
(1-methyl-3,5-dimethyl-4-pyrazolylsulfonyl)[(R)-2-(m-chlorophenyl)-2-methoxypropyl]amine
CID 97554085
(S)-1-cyclopropyl-2-(1-methyl-4-pyrazolylsulfonylamino)-1-phenyl-1-ethanol
CID 99983145
1,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 71806237
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71810687
3-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoro-2-phenylpropan-2-ol
CID 72022739
N-(2-(3-fluorophenyl)-2-methoxyethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 73168452
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 75400473
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 75431318
3,5-diethyl-N-[2-fluoro-6-(hydroxymethyl)phenyl]-1-methylpyrazole-4-sulfonamide
CID 75437512
(2S)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoro-2-phenylpropan-2-ol
CID 96470629

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806386) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(O)(c1ccccc1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is YXSYSTQVJDNFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-16(13(2)20(3)19-12)24(22,23)18-11-17(21,15-9-10-15)14-7-5-4-6-8-14/h4-8,15,18,21H,9-11H2,1-3H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).