1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid

C17H12N2O3 — CID 21268463

IUPAC1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)c2c1COc1ccccc1-2
InChIInChI=1S/C17H12N2O3/c20-17(21)15-13-10-22-14-9-5-4-8-12(14)16(13)19(18-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)
InChIKeyJOVHPEVVMIQWML-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.13
Rot. Bonds2

About 1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid

1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid (PubChem CID 21268463) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid
PubChem CID21268463
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)c2c1COc1ccccc1-2
InChIInChI=1S/C17H12N2O3/c20-17(21)15-13-10-22-14-9-5-4-8-12(14)16(13)19(18-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)
InChIKeyJOVHPEVVMIQWML-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-4H-chromeno[3,4-d]pyrazole-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-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid?
The IUPAC name of 1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid (CID 21268463) is 1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccccc2)c2c1COc1ccccc1-2.
What is the InChIKey of 1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid?
The InChIKey is JOVHPEVVMIQWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-17(21)15-13-10-22-14-9-5-4-8-12(14)16(13)19(18-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21).
What are the key properties of 1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid?
1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 21268463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).