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

C14H16N2O4 — CID 114972609

IUPAC(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccnn2C)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4/c1-16-10(5-6-15-16)13(17)9-7-11(18-2)14(20-4)12(8-9)19-3/h5-8H,1-4H3
InChIKeyIDQJFVKVCTUCFQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.68
Rot. Bonds5

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

(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 114972609) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID114972609
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccnn2C)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4/c1-16-10(5-6-15-16)13(17)9-7-11(18-2)14(20-4)12(8-9)19-3/h5-8H,1-4H3
InChIKeyIDQJFVKVCTUCFQ-UHFFFAOYSA-N
XLogP1.68
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972670
(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972656
3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 30899209
(4,5-dichloro-2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanone
CID 15052556
3-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 4866840
(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 71028644
(2-bromo-6-methoxyphenyl) 2-methylpyrazole-3-carboxylate
CID 71968160
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632
2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 63960954
(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 151869443
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 114972609) is (2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccnn2C)cc(OC)c1OC.
What is the InChIKey of (2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is IDQJFVKVCTUCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-16-10(5-6-15-16)13(17)9-7-11(18-2)14(20-4)12(8-9)19-3/h5-8H,1-4H3.
What are the key properties of (2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 276.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 114972609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).