1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone

C14H16N2O3 — CID 82869703

IUPAC1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccn(C)n2)cc1OC
InChIInChI=1S/C14H16N2O3/c1-16-7-6-11(15-16)9-12(17)10-4-5-13(18-2)14(8-10)19-3/h4-8H,9H2,1-3H3
InChIKeyMHEDBFKRTKDQFQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.86
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone

1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 82869703) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID82869703
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccn(C)n2)cc1OC
InChIInChI=1S/C14H16N2O3/c1-16-7-6-11(15-16)9-12(17)10-4-5-13(18-2)14(8-10)19-3/h4-8H,9H2,1-3H3
InChIKeyMHEDBFKRTKDQFQ-UHFFFAOYSA-N
XLogP1.86
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 115793305
2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone
CID 115793115
(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195639
2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105123749
1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869841
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
1-[4-(2-aminoethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanone
CID 116577667
2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609303
4-methoxy-3-[(1-methylpyrazol-3-yl)methylsulfonyl]benzoic acid
CID 82858201
1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869123
1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464
1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone
CID 161085278

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone (CID 82869703) is 1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone is COc1ccc(C(=O)Cc2ccn(C)n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is MHEDBFKRTKDQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-7-6-11(15-16)9-12(17)10-4-5-13(18-2)14(8-10)19-3/h4-8H,9H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone?
1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 260.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 82869703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).