2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one

C14H24N2O3 — CID 114642520

IUPAC2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
SMILESCCCC(OCC)C(=O)c1c(OC)cnn1CCC
InChIInChI=1S/C14H24N2O3/c1-5-8-11(19-7-3)14(17)13-12(18-4)10-15-16(13)9-6-2/h10-11H,5-9H2,1-4H3
InChIKeyWTQGQZRQNBCZKZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.69
Rot. Bonds9

About 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one

2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one (PubChem CID 114642520) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
PubChem CID114642520
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
SMILESCCCC(OCC)C(=O)c1c(OC)cnn1CCC
InChIInChI=1S/C14H24N2O3/c1-5-8-11(19-7-3)14(17)13-12(18-4)10-15-16(13)9-6-2/h10-11H,5-9H2,1-4H3
InChIKeyWTQGQZRQNBCZKZ-UHFFFAOYSA-N
XLogP2.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114668938
2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 114670350
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one
CID 114642546
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 114640294
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 105133556
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114643704
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114670106
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxypentan-1-one
CID 114642528

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
The IUPAC name of 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one (CID 114642520) is 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one.
What is the SMILES notation for 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
The canonical SMILES for 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one is CCCC(OCC)C(=O)c1c(OC)cnn1CCC.
What is the InChIKey of 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
The InChIKey is WTQGQZRQNBCZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-8-11(19-7-3)14(17)13-12(18-4)10-15-16(13)9-6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one has a molecular weight of 268.36 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one is sourced from PubChem (CID 114642520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).