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

C11H16N2O4 — CID 115810342

IUPAC1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone
SMILESCCn1ncc(OC)c1C(=O)C1COCCO1
InChIInChI=1S/C11H16N2O4/c1-3-13-10(8(15-2)6-12-13)11(14)9-7-16-4-5-17-9/h6,9H,3-5,7H2,1-2H3
InChIKeyCJDQNTIMNWIBHE-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.51
Rot. Bonds4

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

1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone (PubChem CID 115810342) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone
PubChem CID115810342
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone
SMILESCCn1ncc(OC)c1C(=O)C1COCCO1
InChIInChI=1S/C11H16N2O4/c1-3-13-10(8(15-2)6-12-13)11(14)9-7-16-4-5-17-9/h6,9H,3-5,7H2,1-2H3
InChIKeyCJDQNTIMNWIBHE-UHFFFAOYSA-N
XLogP0.51
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641469
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837206
(1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105133074
1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048056
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(thian-4-yl)ethanone
CID 105133121
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone
CID 114640631
(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone
CID 114642420
3-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)pent-2-en-1-one
CID 103458666
1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837776
4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
CID 117233224
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114642639

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The IUPAC name of 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone (CID 115810342) is 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The canonical SMILES for 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone is CCn1ncc(OC)c1C(=O)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The InChIKey is CJDQNTIMNWIBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-13-10(8(15-2)6-12-13)11(14)9-7-16-4-5-17-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone has a molecular weight of 240.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 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)methanone is sourced from PubChem (CID 115810342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).