7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid

C12H9N3O3 — CID 135723021

IUPAC7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid
SMILESCc1ccc2c(c1)c(=O)[nH]c1c(C(=O)O)cnn12
InChIInChI=1S/C12H9N3O3/c1-6-2-3-9-7(4-6)11(16)14-10-8(12(17)18)5-13-15(9)10/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyHFRAJTCXWYFTKK-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.18
Rot. Bonds1

About 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid

7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid (PubChem CID 135723021) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid
PubChem CID135723021
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid
SMILESCc1ccc2c(c1)c(=O)[nH]c1c(C(=O)O)cnn12
InChIInChI=1S/C12H9N3O3/c1-6-2-3-9-7(4-6)11(16)14-10-8(12(17)18)5-13-15(9)10/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyHFRAJTCXWYFTKK-UHFFFAOYSA-N
XLogP1.18
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135407994
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CID 135895253
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CID 135939654
CID 135939654
CID 136360342
CID 136360342
CID 135965878
CID 135965878
CID 135965959
CID 135965959
CID 135473043
CID 135473043
CID 137642708
CID 137642708
CID 3076449
CID 3076449
CID 3076450
CID 3076450
CID 3076453
CID 3076453
CID 3076454
CID 3076454

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
The IUPAC name of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid (CID 135723021) is 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid.
What is the SMILES notation for 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
The canonical SMILES for 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid is Cc1ccc2c(c1)c(=O)[nH]c1c(C(=O)O)cnn12.
What is the InChIKey of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
The InChIKey is HFRAJTCXWYFTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-6-2-3-9-7(4-6)11(16)14-10-8(12(17)18)5-13-15(9)10/h2-5H,1H3,(H,14,16)(H,17,18).
What are the key properties of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid?
7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid is sourced from PubChem (CID 135723021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).