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

C16H20N2O4 — CID 753830

IUPAC(3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone
SMILESCOc1cc(C(=O)n2nc(C)c(C)c2C)cc(OC)c1OC
InChIInChI=1S/C16H20N2O4/c1-9-10(2)17-18(11(9)3)16(19)12-7-13(20-4)15(22-6)14(8-12)21-5/h7-8H,1-6H3
InChIKeyZQCWCMVYVBHUNF-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.52
Rot. Bonds4

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

(3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone (PubChem CID 753830) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone
PubChem CID753830
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone
SMILESCOc1cc(C(=O)n2nc(C)c(C)c2C)cc(OC)c1OC
InChIInChI=1S/C16H20N2O4/c1-9-10(2)17-18(11(9)3)16(19)12-7-13(20-4)15(22-6)14(8-12)21-5/h7-8H,1-6H3
InChIKeyZQCWCMVYVBHUNF-UHFFFAOYSA-N
XLogP2.52
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-Methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 899247
1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
CID 686254
Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
CID 737529
Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 743877
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
3-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-5-carbohydrazide
CID 833281
3,4,5-trimethoxy-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 1269291
3,4,5-triethoxy-N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5431522
4-bromo-1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 712606
(3,5-Dimethoxyphenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 754128
1-Methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide
CID 11523680

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone?
The IUPAC name of (3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone (CID 753830) is (3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone?
The canonical SMILES for (3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone is COc1cc(C(=O)n2nc(C)c(C)c2C)cc(OC)c1OC.
What is the InChIKey of (3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone?
The InChIKey is ZQCWCMVYVBHUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-9-10(2)17-18(11(9)3)16(19)12-7-13(20-4)15(22-6)14(8-12)21-5/h7-8H,1-6H3.
What are the key properties of (3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone?
(3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 753830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).