2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid

C13H12N2O3 — CID 3237542

IUPAC2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)O)CO2
InChIInChI=1S/C13H12N2O3/c1-8-2-3-11-10(4-8)13-9(7-18-11)5-14-15(13)6-12(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyXDNYLYIJGAIABX-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.84
Rot. Bonds2

About 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid

2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid (PubChem CID 3237542) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid
PubChem CID3237542
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)O)CO2
InChIInChI=1S/C13H12N2O3/c1-8-2-3-11-10(4-8)13-9(7-18-11)5-14-15(13)6-12(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyXDNYLYIJGAIABX-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic 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 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid?
The IUPAC name of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid (CID 3237542) is 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid is Cc1ccc2c(c1)-c1c(cnn1CC(=O)O)CO2.
What is the InChIKey of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid?
The InChIKey is XDNYLYIJGAIABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-2-3-11-10(4-8)13-9(7-18-11)5-14-15(13)6-12(16)17/h2-5H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid?
2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid has a molecular weight of 244.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetic acid is sourced from PubChem (CID 3237542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).