4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid

C11H9N3O2 — CID 90016484

IUPAC4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid
SMILESO=C(O)N1C=CC2=C(CC3=CN=NC3=C2)C1
InChIInChI=1S/C11H9N3O2/c15-11(16)14-2-1-7-4-10-8(5-12-13-10)3-9(7)6-14/h1-2,4-5H,3,6H2,(H,15,16)
InChIKeyRVKVCDCBXMNKNB-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.43
Rot. Bonds

About 4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid

4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid (PubChem CID 90016484) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid
PubChem CID90016484
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid
SMILESO=C(O)N1C=CC2=C(CC3=CN=NC3=C2)C1
InChIInChI=1S/C11H9N3O2/c15-11(16)14-2-1-7-4-10-8(5-12-13-10)3-9(7)6-14/h1-2,4-5H,3,6H2,(H,15,16)
InChIKeyRVKVCDCBXMNKNB-UHFFFAOYSA-N
XLogP2.43
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5,6-Tetrahydroindole-1-carboxylic acid
CID 20501559
4-(1-carboxy-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridine-1-carboxylic acid
CID 67187864
2,3-dihydro-1H-phenanthridine-5-carboxylic acid
CID 87522063
5,6-dihydro-1H-isoquinoline-2-carboxylic acid
CID 89877709
6,7-dihydro-1H-isoquinoline-2-carboxylic acid
CID 89877789
Tert-butyl 4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylate
CID 141458041
5,6,7,8,9,10-hexahydro-4H-cyclopenta[i][1]benzazepine-1-carboxylic acid
CID 142775639
Cyclopenta[g]quinoline-1-carboxylic acid
CID 157335763
5,6,7,7a-Tetrahydroindole-1-carboxylic acid
CID 170553600
2,3,4,5-Tetrahydroindole-1-carboxylic acid
CID 175265306
5H-quinoline-1-carboxylic acid
CID 136735918

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid?
The IUPAC name of 4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid (CID 90016484) is 4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid.
What is the SMILES notation for 4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid?
The canonical SMILES for 4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid is O=C(O)N1C=CC2=C(CC3=CN=NC3=C2)C1.
What is the InChIKey of 4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid?
The InChIKey is RVKVCDCBXMNKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-11(16)14-2-1-7-4-10-8(5-12-13-10)3-9(7)6-14/h1-2,4-5H,3,6H2,(H,15,16).
What are the key properties of 4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid?
4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid is sourced from PubChem (CID 90016484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).