(3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C14H16N2O4 — CID 899247

IUPAC(3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2ccc(C)n2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3
InChIKeyOYKZCMONWDBMLU-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.91
Rot. Bonds4

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

(3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 899247) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID899247
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2ccc(C)n2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3
InChIKeyOYKZCMONWDBMLU-UHFFFAOYSA-N
XLogP1.91
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
CID 737529
(3,4,5-Trimethoxy-phenyl)-(3,4,5-trimethyl-pyrazol-1-yl)-methanone
CID 753830
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 6875071
N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 6875077
N-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11957224
1-[5-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435680
1-[5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435681
1-[4-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435691
[1-(4-Methylphenyl)pyrazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 145981683
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
3,4,5-triethoxy-N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5431522
3,4,5-trimethoxy-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 6900938

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 899247) is (3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)n2ccc(C)n2)cc(OC)c1OC.
What is the InChIKey of (3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OYKZCMONWDBMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3.
What are the key properties of (3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 276.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 899247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).