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

C10H16N2O3 — CID 65350804

IUPAC1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)C1COCCO1
InChIInChI=1S/C10H16N2O3/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
InChIKeyWHBVYMVZAIIHBK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.35
Rot. Bonds3

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

1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol (PubChem CID 65350804) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
PubChem CID65350804
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)C1COCCO1
InChIInChI=1S/C10H16N2O3/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
InChIKeyWHBVYMVZAIIHBK-UHFFFAOYSA-N
XLogP0.35
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115834933
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837206
(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
CID 107192287
1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 79972080
1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
oxan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63977183
1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837776
1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol
CID 130530429
azepan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 114556898
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987048
(2-ethylpyrazol-3-yl)-piperidin-3-ylmethanol
CID 80559133

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of 1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol (CID 65350804) is 1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for 1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for 1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is WHBVYMVZAIIHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/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-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol?
1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 212.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 65350804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).