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

C14H16N2O3 — CID 753833

IUPAC(3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C14H16N2O3/c1-9-7-10(2)16(15-9)14(17)11-5-6-12(18-3)13(8-11)19-4/h5-8H,1-4H3
InChIKeyHQUSXGZKUOWKDF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.21
Rot. Bonds3

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

(3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 753833) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID753833
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C14H16N2O3/c1-9-7-10(2)16(15-9)14(17)11-5-6-12(18-3)13(8-11)19-4/h5-8H,1-4H3
InChIKeyHQUSXGZKUOWKDF-UHFFFAOYSA-N
XLogP2.21
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
(4-Bromo-3,5-dimethylpyrazol-1-yl)(4-methoxyphenyl)methanone
CID 714833
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
Benzo[1,3]dioxole-5-carboxylic acid [2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-amide
CID 6499837
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 6875077
Benzotriazol-1-yl-(3,4-dimethoxyphenyl)methanone
CID 743706
(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

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 753833) is (3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone is COc1ccc(C(=O)n2nc(C)cc2C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is HQUSXGZKUOWKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-7-10(2)16(15-9)14(17)11-5-6-12(18-3)13(8-11)19-4/h5-8H,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
(3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 260.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 753833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).