1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol

C11H18N2O4 — CID 115837206

IUPAC1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)C1COCCO1
InChIInChI=1S/C11H18N2O4/c1-3-13-10(8(15-2)6-12-13)11(14)9-7-16-4-5-17-9/h6,9,11,14H,3-5,7H2,1-2H3
InChIKeyUEXHVHSPEGYZMP-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.36
Rot. Bonds4

About 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol

1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol (PubChem CID 115837206) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
PubChem CID115837206
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)C1COCCO1
InChIInChI=1S/C11H18N2O4/c1-3-13-10(8(15-2)6-12-13)11(14)9-7-16-4-5-17-9/h6,9,11,14H,3-5,7H2,1-2H3
InChIKeyUEXHVHSPEGYZMP-UHFFFAOYSA-N
XLogP0.36
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837776
1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048056
(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115834933
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol
CID 114104696
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dioxan-2-yl)methanol
CID 115835854
1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 65350804
7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837191
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810342
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol
CID 105130248
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 114657785
(4-bromo-1-methylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115839299
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol
CID 114637952

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The IUPAC name of 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol (CID 115837206) is 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol.
What is the SMILES notation for 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The canonical SMILES for 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol is CCn1ncc(OC)c1C(O)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The InChIKey is UEXHVHSPEGYZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-13-10(8(15-2)6-12-13)11(14)9-7-16-4-5-17-9/h6,9,11,14H,3-5,7H2,1-2H3.
What are the key properties of 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol has a molecular weight of 242.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol is sourced from PubChem (CID 115837206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).