1-quinazolin-2-ylpyrazole-3-carboxylic acid

C12H8N4O2 — CID 114789673

IUPAC1-quinazolin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C12H8N4O2/c17-11(18)10-5-6-16(15-10)12-13-7-8-3-1-2-4-9(8)14-12/h1-7H,(H,17,18)
InChIKeyKDDYYGNKVNXTEM-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.51
Rot. Bonds2

About 1-quinazolin-2-ylpyrazole-3-carboxylic acid

1-quinazolin-2-ylpyrazole-3-carboxylic acid (PubChem CID 114789673) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-quinazolin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-quinazolin-2-ylpyrazole-3-carboxylic acid
PubChem CID114789673
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name1-quinazolin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C12H8N4O2/c17-11(18)10-5-6-16(15-10)12-13-7-8-3-1-2-4-9(8)14-12/h1-7H,(H,17,18)
InChIKeyKDDYYGNKVNXTEM-UHFFFAOYSA-N
XLogP1.51
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-quinazolin-2-ylpyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-quinazolin-2-ylpyrazole-3-carboxylic acid (CID 114789673) is 1-quinazolin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-quinazolin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-quinazolin-2-ylpyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2ncc3ccccc3n2)n1.
What is the InChIKey of 1-quinazolin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is KDDYYGNKVNXTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-11(18)10-5-6-16(15-10)12-13-7-8-3-1-2-4-9(8)14-12/h1-7H,(H,17,18).
What are the key properties of 1-quinazolin-2-ylpyrazole-3-carboxylic acid?
1-quinazolin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 114789673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).