2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone

C15H18N2O4 — CID 115793115

IUPAC2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(=O)Cc2ccn(C)n2)cc1OC
InChIInChI=1S/C15H18N2O4/c1-17-6-5-10(16-17)7-12(18)11-8-14(20-3)15(21-4)9-13(11)19-2/h5-6,8-9H,7H2,1-4H3
InChIKeyXXZHFBANPRBSIJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.87
Rot. Bonds6

About 2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone

2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone (PubChem CID 115793115) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone
PubChem CID115793115
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(=O)Cc2ccn(C)n2)cc1OC
InChIInChI=1S/C15H18N2O4/c1-17-6-5-10(16-17)7-12(18)11-8-14(20-3)15(21-4)9-13(11)19-2/h5-6,8-9H,7H2,1-4H3
InChIKeyXXZHFBANPRBSIJ-UHFFFAOYSA-N
XLogP1.87
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869703
1-(3-bromo-4-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 115793305
1-(2-amino-4-chlorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868499
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
1-(4-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868497
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 105123838
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78943295
1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869123
2-(1-methylpyrazol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 82868522
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone (CID 115793115) is 2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone is COc1cc(OC)c(C(=O)Cc2ccn(C)n2)cc1OC.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone?
The InChIKey is XXZHFBANPRBSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17-6-5-10(16-17)7-12(18)11-8-14(20-3)15(21-4)9-13(11)19-2/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone?
2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone has a molecular weight of 290.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 115793115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).