1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol

C10H16N2OS2 — CID 79972080

IUPAC1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)C1CSCCS1
InChIInChI=1S/C10H16N2OS2/c1-2-12-8(3-4-11-12)10(13)9-7-14-5-6-15-9/h3-4,9-10,13H,2,5-7H2,1H3
InChIKeyGXOGLYYZELCNDD-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.78
Rot. Bonds3

About 1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol

1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol (PubChem CID 79972080) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol
PubChem CID79972080
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)C1CSCCS1
InChIInChI=1S/C10H16N2OS2/c1-2-12-8(3-4-11-12)10(13)9-7-14-5-6-15-9/h3-4,9-10,13H,2,5-7H2,1H3
InChIKeyGXOGLYYZELCNDD-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethylpyrazol-3-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595649
1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine
CID 79972695
1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 65350804
(2-ethylpyrazol-3-yl)-piperidin-3-ylmethanol
CID 80559133
1,4-dithian-2-yl-(1-propylpyrazol-4-yl)methanol
CID 79971179
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)-N-methylmethanamine
CID 114658071
azepan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 114556898
(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
CID 107192287
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881
1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol
CID 115622254
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1,4-dithian-2-yl)methyl]ethanamine
CID 114658042

Frequently Asked Questions

What is the IUPAC name of 1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of 1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol (CID 79972080) is 1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for 1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for 1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)C1CSCCS1.
What is the InChIKey of 1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is GXOGLYYZELCNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-2-12-8(3-4-11-12)10(13)9-7-14-5-6-15-9/h3-4,9-10,13H,2,5-7H2,1H3.
What are the key properties of 1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol?
1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 244.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 79972080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).