1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid

C18H13N5O2 — CID 56656366

IUPAC1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESNc1nc(-n2cc(C(=O)O)cn2)nc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H13N5O2/c19-16-14-8-12(11-4-2-1-3-5-11)6-7-15(14)21-18(22-16)23-10-13(9-20-23)17(24)25/h1-10H,(H,24,25)(H2,19,21,22)
InChIKeyXAERPVLGSTZPCQ-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.76
Rot. Bonds3

About 1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid

1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid (PubChem CID 56656366) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid
PubChem CID56656366
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESNc1nc(-n2cc(C(=O)O)cn2)nc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H13N5O2/c19-16-14-8-12(11-4-2-1-3-5-11)6-7-15(14)21-18(22-16)23-10-13(9-20-23)17(24)25/h1-10H,(H,24,25)(H2,19,21,22)
InChIKeyXAERPVLGSTZPCQ-UHFFFAOYSA-N
XLogP2.76
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid (CID 56656366) is 1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid is Nc1nc(-n2cc(C(=O)O)cn2)nc2ccc(-c3ccccc3)cc12.
What is the InChIKey of 1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is XAERPVLGSTZPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c19-16-14-8-12(11-4-2-1-3-5-11)6-7-15(14)21-18(22-16)23-10-13(9-20-23)17(24)25/h1-10H,(H,24,25)(H2,19,21,22).
What are the key properties of 1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid?
1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 331.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-phenylquinazolin-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 56656366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).