1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

C14H22N2O3 — CID 103007947

IUPAC1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCCOC1(C(=O)CCc2cnn(C)c2)CCOCC1
InChIInChI=1S/C14H22N2O3/c1-3-19-14(6-8-18-9-7-14)13(17)5-4-12-10-15-16(2)11-12/h10-11H,3-9H2,1-2H3
InChIKeyHDGOPTWPHXMALZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.51
Rot. Bonds6

About 1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 103007947) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID103007947
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCCOC1(C(=O)CCc2cnn(C)c2)CCOCC1
InChIInChI=1S/C14H22N2O3/c1-3-19-14(6-8-18-9-7-14)13(17)5-4-12-10-15-16(2)11-12/h10-11H,3-9H2,1-2H3
InChIKeyHDGOPTWPHXMALZ-UHFFFAOYSA-N
XLogP1.51
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103007085
1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024143
ethyl 4-(4-ethoxyoxan-4-yl)-4-oxobutanoate
CID 116774928
ethyl 3-[2-(1-methylpyrazol-4-yl)ethylamino]propanoate
CID 80689143
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-one
CID 103024051
1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008601
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
CID 80689128
1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103023798
N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116765990
7-(1-methylpyrazol-4-yl)heptan-3-one
CID 103015822
2,2-dimethyl-6-(1-methylpyrazol-4-yl)hexan-3-one
CID 64505015

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (CID 103007947) is 1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is CCOC1(C(=O)CCc2cnn(C)c2)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is HDGOPTWPHXMALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-19-14(6-8-18-9-7-14)13(17)5-4-12-10-15-16(2)11-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 266.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 103007947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).