2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one

C12H20N2O2 — CID 116707677

IUPAC2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(CC)OCC
InChIInChI=1S/C12H20N2O2/c1-4-9-14-10(7-8-13-14)12(15)11(5-2)16-6-3/h7-8,11H,4-6,9H2,1-3H3
InChIKeyPXTWRCXICKLCIZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.29
Rot. Bonds7

About 2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one

2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one (PubChem CID 116707677) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one
PubChem CID116707677
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(CC)OCC
InChIInChI=1S/C12H20N2O2/c1-4-9-14-10(7-8-13-14)12(15)11(5-2)16-6-3/h7-8,11H,4-6,9H2,1-3H3
InChIKeyPXTWRCXICKLCIZ-UHFFFAOYSA-N
XLogP2.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
2-ethoxy-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 116707780
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 114972283
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one
CID 64540904
2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116567267
3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116565240
3-methyl-4-oxo-4-(2-propylpyrazol-3-yl)butanenitrile
CID 114556724
2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 116597901
2-ethoxy-1-(3-methyltriazol-4-yl)butan-1-one
CID 114686229

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one?
The IUPAC name of 2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one (CID 116707677) is 2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one is CCCn1nccc1C(=O)C(CC)OCC.
What is the InChIKey of 2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one?
The InChIKey is PXTWRCXICKLCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-9-14-10(7-8-13-14)12(15)11(5-2)16-6-3/h7-8,11H,4-6,9H2,1-3H3.
What are the key properties of 2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one?
2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one has a molecular weight of 224.30 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 116707677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).