6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one

C24H19N3O2 — CID 56641349

IUPAC6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one
SMILESCc1ccccc1-n1cc(-c2ccccc2)c(-c2ccc3c(c2)NC(=O)CO3)n1
InChIInChI=1S/C24H19N3O2/c1-16-7-5-6-10-21(16)27-14-19(17-8-3-2-4-9-17)24(26-27)18-11-12-22-20(13-18)25-23(28)15-29-22/h2-14H,15H2,1H3,(H,25,28)
InChIKeyMEQAHLHAIYIMIL-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.85
Rot. Bonds3

About 6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one

6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 56641349) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one
PubChem CID56641349
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one
SMILESCc1ccccc1-n1cc(-c2ccccc2)c(-c2ccc3c(c2)NC(=O)CO3)n1
InChIInChI=1S/C24H19N3O2/c1-16-7-5-6-10-21(16)27-14-19(17-8-3-2-4-9-17)24(26-27)18-11-12-22-20(13-18)25-23(28)15-29-22/h2-14H,15H2,1H3,(H,25,28)
InChIKeyMEQAHLHAIYIMIL-UHFFFAOYSA-N
XLogP4.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,4-benzoxazin-3-one
CID 24883011
6-(3-methyl-4-oxophthalazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 1472754
6-(4-oxo-3-phenylphthalazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 1472682
6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 56641613
6-(3-chloro-4-methylquinolin-2-yl)-4H-1,4-benzoxazin-3-one;hydrochloride
CID 42918979
6-(5-pyridin-2-yl-2H-triazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 10085761
6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one
CID 39199500
6-(5-amino-4-bromo-1-methylpyrazol-3-yl)-4H-1,4-benzoxazin-3-one
CID 84605322
6-[5-(3-chlorophenyl)-2H-triazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 10215193
6-(3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)-4H-1,4-benzoxazin-3-one
CID 5020679
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55381378
[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]-phenylazanium
CID 163690268

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one (CID 56641349) is 6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one is Cc1ccccc1-n1cc(-c2ccccc2)c(-c2ccc3c(c2)NC(=O)CO3)n1.
What is the InChIKey of 6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is MEQAHLHAIYIMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-16-7-5-6-10-21(16)27-14-19(17-8-3-2-4-9-17)24(26-27)18-11-12-22-20(13-18)25-23(28)15-29-22/h2-14H,15H2,1H3,(H,25,28).
What are the key properties of 6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one?
6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 381.44 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methylphenyl)-4-phenylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 56641349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).