N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide

C15H21N3O3S — CID 42283213

IUPACN-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)N(CCO)C(C)C
InChIInChI=1S/C15H21N3O3S/c1-12(2)18(9-10-19)22(20,21)15-11-17(16-13(15)3)14-7-5-4-6-8-14/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyVLCLWPBBHVGYCU-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.57
Rot. Bonds6

About N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide

N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42283213) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42283213
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)N(CCO)C(C)C
InChIInChI=1S/C15H21N3O3S/c1-12(2)18(9-10-19)22(20,21)15-11-17(16-13(15)3)14-7-5-4-6-8-14/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyVLCLWPBBHVGYCU-UHFFFAOYSA-N
XLogP1.57
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283152
N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283139
N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 42283150
N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 42283211
1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351426
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283498
N-ethyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351821
4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
CID 42283183
N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350211
N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283357
2-[2-hydroxyethyl(propan-2-yl)sulfamoyl]benzenecarbothioamide
CID 54995212

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide (CID 42283213) is N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)cc1S(=O)(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is VLCLWPBBHVGYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-12(2)18(9-10-19)22(20,21)15-11-17(16-13(15)3)14-7-5-4-6-8-14/h4-8,11-12,19H,9-10H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide?
N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).