2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid

C10H8N4O2 — CID 141335566

IUPAC2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
SMILESO=C(O)C1NNc2c1ccc1cncnc21
InChIInChI=1S/C10H8N4O2/c15-10(16)9-6-2-1-5-3-11-4-12-7(5)8(6)13-14-9/h1-4,9,13-14H,(H,15,16)
InChIKeyYBKLFIYEWUYIHM-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.69
Rot. Bonds1

About 2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid

2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid (PubChem CID 141335566) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
PubChem CID141335566
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
SMILESO=C(O)C1NNc2c1ccc1cncnc21
InChIInChI=1S/C10H8N4O2/c15-10(16)9-6-2-1-5-3-11-4-12-7(5)8(6)13-14-9/h1-4,9,13-14H,(H,15,16)
InChIKeyYBKLFIYEWUYIHM-UHFFFAOYSA-N
XLogP0.69
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid?
The IUPAC name of 2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid (CID 141335566) is 2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid?
The canonical SMILES for 2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid is O=C(O)C1NNc2c1ccc1cncnc21.
What is the InChIKey of 2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid?
The InChIKey is YBKLFIYEWUYIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c15-10(16)9-6-2-1-5-3-11-4-12-7(5)8(6)13-14-9/h1-4,9,13-14H,(H,15,16).
What are the key properties of 2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid?
2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid is sourced from PubChem (CID 141335566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).