1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide

C7H13N3O3S — CID 142587923

IUPAC1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide
SMILESCC[C@@H](O)Cn1ccc(S(N)(=O)=O)n1
InChIInChI=1S/C7H13N3O3S/c1-2-6(11)5-10-4-3-7(9-10)14(8,12)13/h3-4,6,11H,2,5H2,1H3,(H2,8,12,13)/t6-/m1/s1
InChIKeyZTBLUWXNSKPRJA-ZCFIWIBFSA-N
MW219.27 g/mol
LogP-0.70
Rot. Bonds4

About 1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide

1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide (PubChem CID 142587923) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide
PubChem CID142587923
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide
SMILESCC[C@@H](O)Cn1ccc(S(N)(=O)=O)n1
InChIInChI=1S/C7H13N3O3S/c1-2-6(11)5-10-4-3-7(9-10)14(8,12)13/h3-4,6,11H,2,5H2,1H3,(H2,8,12,13)/t6-/m1/s1
InChIKeyZTBLUWXNSKPRJA-ZCFIWIBFSA-N
XLogP-0.70
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1H-pyrazole-3-sulfonamide
CID 14835643
1-(propan-2-yl)-1H-pyrazole-3-sulfonamide
CID 122480685
1-ethyl-1H-pyrazole-3-sulfonamide
CID 130495889
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
CID 142588003
4-Fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide
CID 146570537
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570976
4-Fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
CID 146570977
1-[(2S)-3-bromo-2-hydroxybutyl]-4-fluoropyrazole-3-sulfonamide
CID 146618256
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide
CID 154662132
4-fluoro-1-[(2S)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 167370942
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
CID 104773006
N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
CID 104773079

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide?
The IUPAC name of 1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide (CID 142587923) is 1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide?
The canonical SMILES for 1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide is CC[C@@H](O)Cn1ccc(S(N)(=O)=O)n1.
What is the InChIKey of 1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide?
The InChIKey is ZTBLUWXNSKPRJA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-2-6(11)5-10-4-3-7(9-10)14(8,12)13/h3-4,6,11H,2,5H2,1H3,(H2,8,12,13)/t6-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide?
1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxybutyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 142587923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).