1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide

C14H19N3O3S — CID 75387058

IUPAC1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)Cc2ccccc2)cn1
InChIInChI=1S/C14H19N3O3S/c1-2-17-10-14(9-15-17)21(19,20)16-13(11-18)8-12-6-4-3-5-7-12/h3-7,9-10,13,16,18H,2,8,11H2,1H3
InChIKeyXWEBVFMRJIQQIT-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.78
Rot. Bonds7

About 1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide

1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide (PubChem CID 75387058) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide
PubChem CID75387058
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)Cc2ccccc2)cn1
InChIInChI=1S/C14H19N3O3S/c1-2-17-10-14(9-15-17)21(19,20)16-13(11-18)8-12-6-4-3-5-7-12/h3-7,9-10,13,16,18H,2,8,11H2,1H3
InChIKeyXWEBVFMRJIQQIT-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide (CID 75387058) is 1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(CO)Cc2ccccc2)cn1.
What is the InChIKey of 1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is XWEBVFMRJIQQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-17-10-14(9-15-17)21(19,20)16-13(11-18)8-12-6-4-3-5-7-12/h3-7,9-10,13,16,18H,2,8,11H2,1H3.
What are the key properties of 1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide?
1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75387058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).