(3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone

C12H12N2O3 — CID 5058351

IUPAC(3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone
SMILESCOc1ccc(C(=O)n2cccn2)cc1OC
InChIInChI=1S/C12H12N2O3/c1-16-10-5-4-9(8-11(10)17-2)12(15)14-7-3-6-13-14/h3-8H,1-2H3
InChIKeyBQAVKDMOPOBCQH-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.59
Rot. Bonds3

About (3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone

(3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone (PubChem CID 5058351) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone
PubChem CID5058351
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone
SMILESCOc1ccc(C(=O)n2cccn2)cc1OC
InChIInChI=1S/C12H12N2O3/c1-16-10-5-4-9(8-11(10)17-2)12(15)14-7-3-6-13-14/h3-8H,1-2H3
InChIKeyBQAVKDMOPOBCQH-UHFFFAOYSA-N
XLogP1.59
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethylphenyl)-pyrazol-1-ylmethanone
CID 4592598
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,4-dimethoxyphenyl)methanone
CID 110712619
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
4,4-bis(3,4-dimethoxyphenyl)but-3-en-2-one
CID 10154443
pyridin-2-yl 3,4-dimethoxybenzoate
CID 35206042
(3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone
CID 55967327
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 33003765
3,4-dimethoxybenzoic acid;methanol
CID 144580050
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone (CID 5058351) is (3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone is COc1ccc(C(=O)n2cccn2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone?
The InChIKey is BQAVKDMOPOBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-10-5-4-9(8-11(10)17-2)12(15)14-7-3-6-13-14/h3-8H,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone?
(3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone has a molecular weight of 232.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 5058351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).