2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one

C25H21N3O2 — CID 102470522

IUPAC2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C2CC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C25H21N3O2/c1-30-19-13-11-17(12-14-19)25-21(16-28(27-25)18-7-3-2-4-8-18)23-15-24(29)20-9-5-6-10-22(20)26-23/h2-14,16,23,26H,15H2,1H3
InChIKeyNTXITWWMLZHCTO-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.29
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one

2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one (PubChem CID 102470522) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one
PubChem CID102470522
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C2CC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C25H21N3O2/c1-30-19-13-11-17(12-14-19)25-21(16-28(27-25)18-7-3-2-4-8-18)23-15-24(29)20-9-5-6-10-22(20)26-23/h2-14,16,23,26H,15H2,1H3
InChIKeyNTXITWWMLZHCTO-UHFFFAOYSA-N
XLogP5.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
CID 172717363
(2R)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2R)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 97354163
3-(4-methoxyphenyl)-4-[(3S)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 40920525
(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 2110827
(3S)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydrophenalen-1-one
CID 8891605
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
1-[5-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 71600723
3-[(4-chlorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 5209788
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
(4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95229021
ethyl (4R)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1284292
ethyl 4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4044060

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one (CID 102470522) is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one is COc1ccc(-c2nn(-c3ccccc3)cc2C2CC(=O)c3ccccc3N2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is NTXITWWMLZHCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-30-19-13-11-17(12-14-19)25-21(16-28(27-25)18-7-3-2-4-8-18)23-15-24(29)20-9-5-6-10-22(20)26-23/h2-14,16,23,26H,15H2,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one?
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 395.46 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 102470522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).