2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid

C11H8N2O3 — CID 776480

IUPAC2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C11H8N2O3/c14-11(15)10-7-5-16-8-4-2-1-3-6(8)9(7)12-13-10/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKeyLCCZBCRICIYZCV-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.67
Rot. Bonds1

About 2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid

2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (PubChem CID 776480) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
PubChem CID776480
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C11H8N2O3/c14-11(15)10-7-5-16-8-4-2-1-3-6(8)9(7)12-13-10/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKeyLCCZBCRICIYZCV-UHFFFAOYSA-N
XLogP1.67
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The IUPAC name of 2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (CID 776480) is 2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is O=C(O)c1[nH]nc2c1COc1ccccc1-2.
What is the InChIKey of 2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The InChIKey is LCCZBCRICIYZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11(15)10-7-5-16-8-4-2-1-3-6(8)9(7)12-13-10/h1-4H,5H2,(H,12,13)(H,14,15).
What are the key properties of 2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 776480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).