5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid

C18H12N4O3 — CID 3076454

IUPAC5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1-n1cnc2ccccc2c1=O
InChIInChI=1S/C18H12N4O3/c23-17-13-8-4-5-9-15(13)19-11-21(17)16-14(18(24)25)10-20-22(16)12-6-2-1-3-7-12/h1-11H,(H,24,25)
InChIKeyVWOGTSDDOYHUFF-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.27
Rot. Bonds3

About 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid

5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid (PubChem CID 3076454) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid
PubChem CID3076454
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC Name5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1-n1cnc2ccccc2c1=O
InChIInChI=1S/C18H12N4O3/c23-17-13-8-4-5-9-15(13)19-11-21(17)16-14(18(24)25)10-20-22(16)12-6-2-1-3-7-12/h1-11H,(H,24,25)
InChIKeyVWOGTSDDOYHUFF-UHFFFAOYSA-N
XLogP2.27
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid (CID 3076454) is 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccc2)c1-n1cnc2ccccc2c1=O.
What is the InChIKey of 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is VWOGTSDDOYHUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c23-17-13-8-4-5-9-15(13)19-11-21(17)16-14(18(24)25)10-20-22(16)12-6-2-1-3-7-12/h1-11H,(H,24,25).
What are the key properties of 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid?
5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 332.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3076454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).