(3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone

C16H20N2O4 — CID 3065473

IUPAC(3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone
SMILESCCOc1c(OC)cc(C(=O)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C16H20N2O4/c1-6-22-15-13(20-4)8-12(9-14(15)21-5)16(19)18-11(3)7-10(2)17-18/h7-9H,6H2,1-5H3
InChIKeyNENMBVQLWYILRX-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.60
Rot. Bonds5

About (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone (PubChem CID 3065473) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone
PubChem CID3065473
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone
SMILESCCOc1c(OC)cc(C(=O)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C16H20N2O4/c1-6-22-15-13(20-4)8-12(9-14(15)21-5)16(19)18-11(3)7-10(2)17-18/h7-9H,6H2,1-5H3
InChIKeyNENMBVQLWYILRX-UHFFFAOYSA-N
XLogP2.60
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.60
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
(3,4,5-Trimethoxy-phenyl)-(3,4,5-trimethyl-pyrazol-1-yl)-methanone
CID 753830
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
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 658961
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 (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone (CID 3065473) is (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone is CCOc1c(OC)cc(C(=O)n2nc(C)cc2C)cc1OC.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone?
The InChIKey is NENMBVQLWYILRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-6-22-15-13(20-4)8-12(9-14(15)21-5)16(19)18-11(3)7-10(2)17-18/h7-9H,6H2,1-5H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone has a molecular weight of 304.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 3065473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).