5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one

C11H12N2O3 — CID 613230

IUPAC5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2cc(=O)[nH][nH]2)cc1OC
InChIInChI=1S/C11H12N2O3/c1-15-9-4-3-7(5-10(9)16-2)8-6-11(14)13-12-8/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyNDXXXTKECLNKSE-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.39
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one

5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one (PubChem CID 613230) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one
PubChem CID613230
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2cc(=O)[nH][nH]2)cc1OC
InChIInChI=1S/C11H12N2O3/c1-15-9-4-3-7(5-10(9)16-2)8-6-11(14)13-12-8/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyNDXXXTKECLNKSE-UHFFFAOYSA-N
XLogP1.39
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1H-pyrazol-5-ol
CID 815408
3-(2-methoxyphenyl)-1H-pyrazol-5-ol
CID 605360
3,4-Dimethoxybenzohydrazide
CID 1530859
(Z)-3-(3,4-dimethoxyphenyl)-4-(2-(3-methoxyphenyl)hydrazono)-1H-pyrazol-5(4H)-one
CID 135976653
5-(3-Methoxyphenyl)-1H-pyrazol-3(2H)-one
CID 1519685
3-(3-ethoxyphenyl)-1H-pyrazol-5-ol
CID 1260077
(E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
CID 2122819
5-(3,4-Dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135976629
5-(3,4-Dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one
CID 135976651
4-[[3-(3,4-Dimethoxyphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]diazenyl]benzonitrile
CID 135976654
((3,4-Dimethoxyphenyl)methyl)hydrazine
CID 8678
N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-3,4-dimethoxybenzohydrazide
CID 740476

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one (CID 613230) is 5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one is COc1ccc(-c2cc(=O)[nH][nH]2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is NDXXXTKECLNKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-15-9-4-3-7(5-10(9)16-2)8-6-11(14)13-12-8/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one?
5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 220.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 613230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).