4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid

C10H9N3O4 — CID 136922622

IUPAC4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid
SMILESCc1[nH]nc2c1-c1onc(C(=O)O)c1C(O)C2
InChIInChI=1S/C10H9N3O4/c1-3-6-4(12-11-3)2-5(14)7-8(10(15)16)13-17-9(6)7/h5,14H,2H2,1H3,(H,11,12)(H,15,16)
InChIKeyKIOWDLCCYBZYTR-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.66
Rot. Bonds1

About 4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid

4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid (PubChem CID 136922622) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid
PubChem CID136922622
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid
SMILESCc1[nH]nc2c1-c1onc(C(=O)O)c1C(O)C2
InChIInChI=1S/C10H9N3O4/c1-3-6-4(12-11-3)2-5(14)7-8(10(15)16)13-17-9(6)7/h5,14H,2H2,1H3,(H,11,12)(H,15,16)
InChIKeyKIOWDLCCYBZYTR-UHFFFAOYSA-N
XLogP0.66
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
CID 83637343
(4S,6R)-4,6-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 124512582
13-methyl-3-oxa-4,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaene-5-carboxylic acid
CID 96599262
3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole-4-carboxylic acid
CID 71306202
3,5,5-trimethyl-2,4,6,7-tetrahydroindazole-4-carboxylic acid
CID 112716237
4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 83696328
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
12-ethyl-3,10-dioxa-4,7,11-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-5-carboxylic acid
CID 96595994
5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
CID 82471436
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107216292
4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid
CID 105464783
4-(bromomethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 166604179

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid (CID 136922622) is 4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid is Cc1[nH]nc2c1-c1onc(C(=O)O)c1C(O)C2.
What is the InChIKey of 4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid?
The InChIKey is KIOWDLCCYBZYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-3-6-4(12-11-3)2-5(14)7-8(10(15)16)13-17-9(6)7/h5,14H,2H2,1H3,(H,11,12)(H,15,16).
What are the key properties of 4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid?
4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methyl-5,7-dihydro-4H-pyrazolo[3,4-g][1,2]benzoxazole-3-carboxylic acid is sourced from PubChem (CID 136922622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).