2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one

C10H16N2O3 — CID 114642497

IUPAC2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
SMILESCCC(OC)C(=O)c1c(OC)cnn1C
InChIInChI=1S/C10H16N2O3/c1-5-7(14-3)10(13)9-8(15-4)6-11-12(9)2/h6-7H,5H2,1-4H3
InChIKeyRXHYGANEHVCSCG-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.04
Rot. Bonds5

About 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one (PubChem CID 114642497) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
PubChem CID114642497
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
SMILESCCC(OC)C(=O)c1c(OC)cnn1C
InChIInChI=1S/C10H16N2O3/c1-5-7(14-3)10(13)9-8(15-4)6-11-12(9)2/h6-7H,5H2,1-4H3
InChIKeyRXHYGANEHVCSCG-UHFFFAOYSA-N
XLogP1.04
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311593
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one
CID 114642539
2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one
CID 114670977
2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114668516
2-methoxy-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116707258
(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one
CID 103454159
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
CID 104940695
3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one
CID 114641301

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one?
The IUPAC name of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one (CID 114642497) is 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one.
What is the SMILES notation for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one?
The canonical SMILES for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one is CCC(OC)C(=O)c1c(OC)cnn1C.
What is the InChIKey of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one?
The InChIKey is RXHYGANEHVCSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-7(14-3)10(13)9-8(15-4)6-11-12(9)2/h6-7H,5H2,1-4H3.
What are the key properties of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one?
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one has a molecular weight of 212.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one is sourced from PubChem (CID 114642497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).