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

C14H19N3O3S — CID 63183065

IUPACN-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H19N3O3S/c1-10-14(11(2)17(3)15-10)21(19,20)16-13(9-18)12-7-5-4-6-8-12/h4-8,13,16,18H,9H2,1-3H3
InChIKeyBATJMQSQHMZTCD-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.05
Rot. Bonds5

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

N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 63183065) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID63183065
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H19N3O3S/c1-10-14(11(2)17(3)15-10)21(19,20)16-13(9-18)12-7-5-4-6-8-12/h4-8,13,16,18H,9H2,1-3H3
InChIKeyBATJMQSQHMZTCD-UHFFFAOYSA-N
XLogP1.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 63183065) is N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is BATJMQSQHMZTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-14(11(2)17(3)15-10)21(19,20)16-13(9-18)12-7-5-4-6-8-12/h4-8,13,16,18H,9H2,1-3H3.
What are the key properties of N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 63183065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).