3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol

C7H12N2O2S — CID 141348987

IUPAC3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol
SMILESCS(=O)c1ccn(CCCO)n1
InChIInChI=1S/C7H12N2O2S/c1-12(11)7-3-5-9(8-7)4-2-6-10/h3,5,10H,2,4,6H2,1H3
InChIKeyPGEKVBWVCIUQPZ-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.00
Rot. Bonds4

About 3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol

3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol (PubChem CID 141348987) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol
PubChem CID141348987
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol
SMILESCS(=O)c1ccn(CCCO)n1
InChIInChI=1S/C7H12N2O2S/c1-12(11)7-3-5-9(8-7)4-2-6-10/h3,5,10H,2,4,6H2,1H3
InChIKeyPGEKVBWVCIUQPZ-UHFFFAOYSA-N
XLogP0.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminopyrazol-1-yl)propan-1-ol
CID 50989707
3-(3-propylpyrazol-1-yl)propan-1-ol
CID 90288358
1-ethylpyrazole-3-sulfinic acid
CID 163463229
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]sulfinylurea
CID 138532561
N-[1-(2-hydroxyethyl)pyrazol-3-yl]acetamide
CID 141183209
(1S)-1-(1-butylpyrazol-3-yl)propane-1,3-diol
CID 129418616
3-(3-bromo-1,2,4-triazol-1-yl)propan-1-ol
CID 91641325
N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(1-phenylpyrazol-3-yl)acetamide
CID 166379982
1-(1-butylpyrazol-3-yl)-2-methylpropan-1-one
CID 178017881
N-[3-(3-methylpyrazol-1-yl)propyl]butanamide
CID 19323910
1-[1-(3-methoxypropyl)pyrazol-3-yl]propane-1,3-diol
CID 119055086
3-bromo-1-butylpyrazole
CID 90102192

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol?
The IUPAC name of 3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol (CID 141348987) is 3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol is CS(=O)c1ccn(CCCO)n1.
What is the InChIKey of 3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol?
The InChIKey is PGEKVBWVCIUQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-12(11)7-3-5-9(8-7)4-2-6-10/h3,5,10H,2,4,6H2,1H3.
What are the key properties of 3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol?
3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol has a molecular weight of 188.25 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfinylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 141348987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).