4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid

C11H10N2O3 — CID 67948791

IUPAC4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid
SMILESO=C(O)N1C=C2COc3ccccc3C2N1
InChIInChI=1S/C11H10N2O3/c14-11(15)13-5-7-6-16-9-4-2-1-3-8(9)10(7)12-13/h1-5,10,12H,6H2,(H,14,15)
InChIKeyVOESSMNQYNPXLB-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.50
Rot. Bonds

About 4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid

4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid (PubChem CID 67948791) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid.

Molecular Properties

Compound Name4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid
PubChem CID67948791
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid
SMILESO=C(O)N1C=C2COc3ccccc3C2N1
InChIInChI=1S/C11H10N2O3/c14-11(15)13-5-7-6-16-9-4-2-1-3-8(9)10(7)12-13/h1-5,10,12H,6H2,(H,14,15)
InChIKeyVOESSMNQYNPXLB-UHFFFAOYSA-N
XLogP1.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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bis(2,3-dihydro-1-benzofuran-3-yl)methanone
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5,11-dihydro-[1]benzoxepino[3,4-b]pyridine-11-carboxylic acid
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methyl 5,10b-dihydropyrano[3,2-c]chromene-2-carboxylate
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4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
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CID 104768932

Frequently Asked Questions

What is the IUPAC name of 4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid?
The IUPAC name of 4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid (CID 67948791) is 4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid.
What is the SMILES notation for 4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid?
The canonical SMILES for 4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid is O=C(O)N1C=C2COc3ccccc3C2N1.
What is the InChIKey of 4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid?
The InChIKey is VOESSMNQYNPXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-11(15)13-5-7-6-16-9-4-2-1-3-8(9)10(7)12-13/h1-5,10,12H,6H2,(H,14,15).
What are the key properties of 4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid?
4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9b-dihydro-1H-chromeno[4,3-c]pyrazole-2-carboxylic acid is sourced from PubChem (CID 67948791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).