1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid

C11H9N3O3 — CID 122534883

IUPAC1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid
SMILESCn1ncc2ccc3c(c21)CON=C3C(=O)O
InChIInChI=1S/C11H9N3O3/c1-14-10-6(4-12-14)2-3-7-8(10)5-17-13-9(7)11(15)16/h2-4H,5H2,1H3,(H,15,16)
InChIKeyJVVVTVLRQRWJDK-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.89
Rot. Bonds1

About 1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid

1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid (PubChem CID 122534883) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid
PubChem CID122534883
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid
SMILESCn1ncc2ccc3c(c21)CON=C3C(=O)O
InChIInChI=1S/C11H9N3O3/c1-14-10-6(4-12-14)2-3-7-8(10)5-17-13-9(7)11(15)16/h2-4H,5H2,1H3,(H,15,16)
InChIKeyJVVVTVLRQRWJDK-UHFFFAOYSA-N
XLogP0.89
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-1-methylindazole-6-carboxylic acid
CID 117109695
ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid
CID 145153993
7-chloro-1-methylindazole-5-carboxylic acid
CID 83885208
7-ethyl-1-methylindazole-4-carboxylic acid
CID 142441366
6-fluoro-1,7-dimethylindazole
CID 83381543
(7-methoxy-1-methylindazol-6-yl)carbamic acid
CID 174225914
ethyl 2-(1,7-dimethylindazol-6-yl)-2-oxoacetate
CID 122534993
N-(6-ethyl-1-methylindazol-7-yl)acetamide
CID 167348397
3-methyl-4-oxophthalazine-5-carboxylic acid
CID 12955517
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
(1-methylindazol-7-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515494
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid?
The IUPAC name of 1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid (CID 122534883) is 1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid.
What is the SMILES notation for 1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid?
The canonical SMILES for 1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid is Cn1ncc2ccc3c(c21)CON=C3C(=O)O.
What is the InChIKey of 1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid?
The InChIKey is JVVVTVLRQRWJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-14-10-6(4-12-14)2-3-7-8(10)5-17-13-9(7)11(15)16/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid?
1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9H-pyrazolo[4,5-h][2,3]benzoxazine-6-carboxylic acid is sourced from PubChem (CID 122534883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).