[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone

C19H20N2O3 — CID 174718033

IUPAC[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccccc3C)CC2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-13-6-4-5-7-15(13)19(22)21-11-10-16(20-21)14-8-9-17(23-2)18(12-14)24-3/h4-9,12H,10-11H2,1-3H3
InChIKeyLCFLEFFFTFQKOT-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.26
Rot. Bonds4

About [5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone

[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone (PubChem CID 174718033) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
PubChem CID174718033
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccccc3C)CC2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-13-6-4-5-7-15(13)19(22)21-11-10-16(20-21)14-8-9-17(23-2)18(12-14)24-3/h4-9,12H,10-11H2,1-3H3
InChIKeyLCFLEFFFTFQKOT-UHFFFAOYSA-N
XLogP3.26
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 66866495
(4-chloro-3-fluorophenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 71185011
[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(6-nitro-1,3-benzodioxol-5-yl)methanone
CID 71185005
6-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-2,3-dihydroinden-1-one
CID 157287272
(7-chloro-1,3-benzodioxol-5-yl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 71185182
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766734
[(3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 1456514
N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 18403713
(2-chlorophenyl)-[5-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 3284782
(4-aminophenyl)-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
CID 11394068
(4-aminophenyl)-[6-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]methanone
CID 18403673
[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46491157

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone (CID 174718033) is [5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone is COc1ccc(C2=NN(C(=O)c3ccccc3C)CC2)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
The InChIKey is LCFLEFFFTFQKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-6-4-5-7-15(13)19(22)21-11-10-16(20-21)14-8-9-17(23-2)18(12-14)24-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone has a molecular weight of 324.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 174718033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).