2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one

C9H14N2O2 — CID 103130398

IUPAC2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one
SMILESCCOC(C)C(=O)c1ccn(C)n1
InChIInChI=1S/C9H14N2O2/c1-4-13-7(2)9(12)8-5-6-11(3)10-8/h5-7H,4H2,1-3H3
InChIKeyRRICDDSOGQCTLA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.03
Rot. Bonds4

About 2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one

2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one (PubChem CID 103130398) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one
PubChem CID103130398
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one
SMILESCCOC(C)C(=O)c1ccn(C)n1
InChIInChI=1S/C9H14N2O2/c1-4-13-7(2)9(12)8-5-6-11(3)10-8/h5-7H,4H2,1-3H3
InChIKeyRRICDDSOGQCTLA-UHFFFAOYSA-N
XLogP1.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylpyrazole-3-carbonyl)heptane-3,5-dione
CID 107431184
2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
CID 79567430
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 103133838
4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
CID 103133153
2-(4-ethoxyphenyl)-3-(1-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 103118513
(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide
CID 94181328
1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide
CID 103118084
2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116547
ethyl 4-(1-methylpyrazol-3-yl)-2,4-dioxobutanoate
CID 103119226
1-methylpyrazole-3-carboxamide
CID 13464586

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one (CID 103130398) is 2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one is CCOC(C)C(=O)c1ccn(C)n1.
What is the InChIKey of 2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one?
The InChIKey is RRICDDSOGQCTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-13-7(2)9(12)8-5-6-11(3)10-8/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one?
2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103130398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).