(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone

C14H16N2O3 — CID 105098356

IUPAC(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2cc(C)nn2C)c1
InChIInChI=1S/C14H16N2O3/c1-9-7-12(16(2)15-9)14(17)11-8-10(18-3)5-6-13(11)19-4/h5-8H,1-4H3
InChIKeyIFJNTFNIGRVFDX-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.98
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone

(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 105098356) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID105098356
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2cc(C)nn2C)c1
InChIInChI=1S/C14H16N2O3/c1-9-7-12(16(2)15-9)14(17)11-8-10(18-3)5-6-13(11)19-4/h5-8H,1-4H3
InChIKeyIFJNTFNIGRVFDX-UHFFFAOYSA-N
XLogP1.98
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978939
methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate
CID 141175690
(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972656
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105095285
[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70768505
(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105098414
(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105093552
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 114979273

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone (CID 105098356) is (2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone is COc1ccc(OC)c(C(=O)c2cc(C)nn2C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is IFJNTFNIGRVFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-7-12(16(2)15-9)14(17)11-8-10(18-3)5-6-13(11)19-4/h5-8H,1-4H3.
What are the key properties of (2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 260.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 105098356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).