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

C14H19N3O3S — CID 71911354

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

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

1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide (PubChem CID 71911354) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
PubChem CID71911354
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(O)Cc2ccccc2)cn1
InChIInChI=1S/C14H19N3O3S/c1-2-17-11-14(10-15-17)21(19,20)16-9-13(18)8-12-6-4-3-5-7-12/h3-7,10-11,13,16,18H,2,8-9H2,1H3
InChIKeyXCHYDHZVJFKDGF-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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Related Compounds

2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 66169743
1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide
CID 86870409
N-[(2S)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864282
N-[(2R)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864281
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 167913458
N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide
CID 75518066
5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90534466
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide (CID 71911354) is 1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(O)Cc2ccccc2)cn1.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide?
The InChIKey is XCHYDHZVJFKDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-17-11-14(10-15-17)21(19,20)16-9-13(18)8-12-6-4-3-5-7-12/h3-7,10-11,13,16,18H,2,8-9H2,1H3.
What are the key properties of 1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide?
1-ethyl-N-(2-hydroxy-3-phenylpropyl)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-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71911354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).