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

C12H10N2O4 — CID 68673930

IUPAC8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)-c1n[nH]c(C(=O)O)c1CO2
InChIInChI=1S/C12H10N2O4/c1-17-6-2-3-9-7(4-6)10-8(5-18-9)11(12(15)16)14-13-10/h2-4H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyCORLJUSTFFKTFP-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.68
Rot. Bonds2

About 8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid

8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (PubChem CID 68673930) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
PubChem CID68673930
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)-c1n[nH]c(C(=O)O)c1CO2
InChIInChI=1S/C12H10N2O4/c1-17-6-2-3-9-7(4-6)10-8(5-18-9)11(12(15)16)14-13-10/h2-4H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyCORLJUSTFFKTFP-UHFFFAOYSA-N
XLogP1.68
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The IUPAC name of 8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (CID 68673930) is 8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is COc1ccc2c(c1)-c1n[nH]c(C(=O)O)c1CO2.
What is the InChIKey of 8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The InChIKey is CORLJUSTFFKTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-17-6-2-3-9-7(4-6)10-8(5-18-9)11(12(15)16)14-13-10/h2-4H,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 68673930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).