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

C15H18N2O4 — CID 737529

IUPAC(3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2nc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-9-6-10(2)17(16-9)15(18)11-7-12(19-3)14(21-5)13(8-11)20-4/h6-8H,1-5H3
InChIKeyKUFQYQWVZDXHJN-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.21
Rot. Bonds4

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

(3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 737529) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID737529
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2nc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-9-6-10(2)17(16-9)15(18)11-7-12(19-3)14(21-5)13(8-11)20-4/h6-8H,1-5H3
InChIKeyKUFQYQWVZDXHJN-UHFFFAOYSA-N
XLogP2.21
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.21
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
(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-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
1-(2,6-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 897075
4-bromo-1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 712606

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 737529) is (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)n2nc(C)cc2C)cc(OC)c1OC.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KUFQYQWVZDXHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-6-10(2)17(16-9)15(18)11-7-12(19-3)14(21-5)13(8-11)20-4/h6-8H,1-5H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 290.32 g/mol, XLogP of 2.21, 4 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)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 737529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).