N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H17N3O3S — CID 39404732

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)15-14-9)20(18,19)16-12(8-17)11-6-4-3-5-7-11/h3-7,12,16-17H,8H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyOUDCVDDETOXTMD-LBPRGKRZSA-N
MW295.36 g/mol
LogP1.04
Rot. Bonds5

About N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 39404732) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID39404732
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)15-14-9)20(18,19)16-12(8-17)11-6-4-3-5-7-11/h3-7,12,16-17H,8H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyOUDCVDDETOXTMD-LBPRGKRZSA-N
XLogP1.04
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 39404732) is N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is OUDCVDDETOXTMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-13(10(2)15-14-9)20(18,19)16-12(8-17)11-6-4-3-5-7-11/h3-7,12,16-17H,8H2,1-2H3,(H,14,15)/t12-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 39404732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).