10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one

C12H11ClN2O2 — CID 71520772

IUPAC10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one
SMILESCC1=NN2C(=O)COc3ccc(Cl)cc3C2C1
InChIInChI=1S/C12H11ClN2O2/c1-7-4-10-9-5-8(13)2-3-11(9)17-6-12(16)15(10)14-7/h2-3,5,10H,4,6H2,1H3
InChIKeyORIPBNDBZHFJNX-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.38
Rot. Bonds

About 10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one

10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one (PubChem CID 71520772) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one.

Molecular Properties

Compound Name10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one
PubChem CID71520772
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one
SMILESCC1=NN2C(=O)COc3ccc(Cl)cc3C2C1
InChIInChI=1S/C12H11ClN2O2/c1-7-4-10-9-5-8(13)2-3-11(9)17-6-12(16)15(10)14-7/h2-3,5,10H,4,6H2,1H3
InChIKeyORIPBNDBZHFJNX-UHFFFAOYSA-N
XLogP2.38
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-9-nitro-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one
CID 71520775
2-(4-propan-2-ylphenyl)-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one
CID 127025106
2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
CID 135029399
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160984
9-chloro-5-methyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5142891
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 6494233
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 1263385
1-(7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine
CID 82246990
8-chloro-3,4-dihydro-1H-cyclopenta[c]chromen-2-one
CID 10846599
1-[3-(2,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]butan-1-one
CID 122703772
(5R,10bS)-9-chloro-5-ethyl-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7574503

Frequently Asked Questions

What is the IUPAC name of 10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one?
The IUPAC name of 10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one (CID 71520772) is 10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one.
What is the SMILES notation for 10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one?
The canonical SMILES for 10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one is CC1=NN2C(=O)COc3ccc(Cl)cc3C2C1.
What is the InChIKey of 10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one?
The InChIKey is ORIPBNDBZHFJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7-4-10-9-5-8(13)2-3-11(9)17-6-12(16)15(10)14-7/h2-3,5,10H,4,6H2,1H3.
What are the key properties of 10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one?
10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one has a molecular weight of 250.69 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one is sourced from PubChem (CID 71520772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).