1-quinazolin-2-ylpyrazole-4-carboxylic acid

C12H8N4O2 — CID 114789671

IUPAC1-quinazolin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ncc3ccccc3n2)c1
InChIInChI=1S/C12H8N4O2/c17-11(18)9-6-14-16(7-9)12-13-5-8-3-1-2-4-10(8)15-12/h1-7H,(H,17,18)
InChIKeyACLSARUACKIMOP-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.51
Rot. Bonds2

About 1-quinazolin-2-ylpyrazole-4-carboxylic acid

1-quinazolin-2-ylpyrazole-4-carboxylic acid (PubChem CID 114789671) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-quinazolin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-quinazolin-2-ylpyrazole-4-carboxylic acid
PubChem CID114789671
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name1-quinazolin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ncc3ccccc3n2)c1
InChIInChI=1S/C12H8N4O2/c17-11(18)9-6-14-16(7-9)12-13-5-8-3-1-2-4-10(8)15-12/h1-7H,(H,17,18)
InChIKeyACLSARUACKIMOP-UHFFFAOYSA-N
XLogP1.51
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)quinazoline
CID 114789584
1-quinazolin-2-ylpyrazole-3-carboxylic acid
CID 114789673
1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid
CID 63229400
2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 84796755
1-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 53415770
1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 56656538
2-(4-carbamoylpyrazol-1-yl)quinoline-3-carboxylic acid
CID 64781219
1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid
CID 143457959
1-(2-cyanophenyl)pyrazole-4-carboxylic acid
CID 53415450
1-(2-methylpyrimidin-4-yl)pyrazole-4-carboxylic acid
CID 62770775
1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 66747350
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663

Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-quinazolin-2-ylpyrazole-4-carboxylic acid (CID 114789671) is 1-quinazolin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-quinazolin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-quinazolin-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ncc3ccccc3n2)c1.
What is the InChIKey of 1-quinazolin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is ACLSARUACKIMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-11(18)9-6-14-16(7-9)12-13-5-8-3-1-2-4-10(8)15-12/h1-7H,(H,17,18).
What are the key properties of 1-quinazolin-2-ylpyrazole-4-carboxylic acid?
1-quinazolin-2-ylpyrazole-4-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 114789671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).