1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide

C6H11N3O2S — CID 138532392

IUPAC1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide
SMILESC[C@@H](O)Cn1ccc(S(N)=O)n1
InChIInChI=1S/C6H11N3O2S/c1-5(10)4-9-3-2-6(8-9)12(7)11/h2-3,5,10H,4,7H2,1H3/t5-,12?/m1/s1
InChIKeyHDVUYEWUJDNHIF-ZLHBUEOZSA-N
MW189.24 g/mol
LogP-0.75
Rot. Bonds3

About 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide

1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide (PubChem CID 138532392) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide
PubChem CID138532392
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide
SMILESC[C@@H](O)Cn1ccc(S(N)=O)n1
InChIInChI=1S/C6H11N3O2S/c1-5(10)4-9-3-2-6(8-9)12(7)11/h2-3,5,10H,4,7H2,1H3/t5-,12?/m1/s1
InChIKeyHDVUYEWUJDNHIF-ZLHBUEOZSA-N
XLogP-0.75
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
[amino-[4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-oxo-lambda6-sulfanylidene]urea
CID 154662082
[amino-[4-fluoro-1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-oxo-lambda6-sulfanylidene]urea
CID 154662101
[Amino-[4-fluoro-1-(2-hydroxypropyl)pyrazol-3-yl]-oxo-lambda6-sulfanylidene]urea
CID 154662106
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide
CID 154662132
4-fluoro-1-[(2S)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 167370942

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide (CID 138532392) is 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide is C[C@@H](O)Cn1ccc(S(N)=O)n1.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide?
The InChIKey is HDVUYEWUJDNHIF-ZLHBUEOZSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-5(10)4-9-3-2-6(8-9)12(7)11/h2-3,5,10H,4,7H2,1H3/t5-,12?/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide?
1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide has a molecular weight of 189.24 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide is sourced from PubChem (CID 138532392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).