1-(2-hydroxybutyl)pyrazole-3-sulfinamide

C7H13N3O2S — CID 142587926

IUPAC1-(2-hydroxybutyl)pyrazole-3-sulfinamide
SMILESCCC(O)Cn1ccc(S(N)=O)n1
InChIInChI=1S/C7H13N3O2S/c1-2-6(11)5-10-4-3-7(9-10)13(8)12/h3-4,6,11H,2,5,8H2,1H3
InChIKeyLVLXAXIOBXEOOO-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.36
Rot. Bonds4

About 1-(2-hydroxybutyl)pyrazole-3-sulfinamide

1-(2-hydroxybutyl)pyrazole-3-sulfinamide (PubChem CID 142587926) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-(2-hydroxybutyl)pyrazole-3-sulfinamide.

Molecular Properties

Compound Name1-(2-hydroxybutyl)pyrazole-3-sulfinamide
PubChem CID142587926
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-(2-hydroxybutyl)pyrazole-3-sulfinamide
SMILESCCC(O)Cn1ccc(S(N)=O)n1
InChIInChI=1S/C7H13N3O2S/c1-2-6(11)5-10-4-3-7(9-10)13(8)12/h3-4,6,11H,2,5,8H2,1H3
InChIKeyLVLXAXIOBXEOOO-UHFFFAOYSA-N
XLogP-0.36
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1H-pyrazole-3-sulfonamide
CID 130495889
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
CID 142588003
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570976
4-Fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
CID 146570977
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
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-sulfonamide
CID 113964816
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
CID 113964839
1-(2-Hydroxypropyl)pyrazole-4-sulfonamide
CID 130536517
N-(2-hydroxyethyl)-2-(methoxymethyl)pyrazole-3-sulfonamide
CID 134398305

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybutyl)pyrazole-3-sulfinamide?
The IUPAC name of 1-(2-hydroxybutyl)pyrazole-3-sulfinamide (CID 142587926) is 1-(2-hydroxybutyl)pyrazole-3-sulfinamide.
What is the SMILES notation for 1-(2-hydroxybutyl)pyrazole-3-sulfinamide?
The canonical SMILES for 1-(2-hydroxybutyl)pyrazole-3-sulfinamide is CCC(O)Cn1ccc(S(N)=O)n1.
What is the InChIKey of 1-(2-hydroxybutyl)pyrazole-3-sulfinamide?
The InChIKey is LVLXAXIOBXEOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-2-6(11)5-10-4-3-7(9-10)13(8)12/h3-4,6,11H,2,5,8H2,1H3.
What are the key properties of 1-(2-hydroxybutyl)pyrazole-3-sulfinamide?
1-(2-hydroxybutyl)pyrazole-3-sulfinamide has a molecular weight of 203.27 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybutyl)pyrazole-3-sulfinamide is sourced from PubChem (CID 142587926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).