4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid

C15H14N4O2 — CID 63263044

IUPAC4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid
SMILESCc1nn(-c2ncnc3cc(C(=O)O)ccc23)c(C)c1C
InChIInChI=1S/C15H14N4O2/c1-8-9(2)18-19(10(8)3)14-12-5-4-11(15(20)21)6-13(12)16-7-17-14/h4-7H,1-3H3,(H,20,21)
InChIKeyFGGZMMBRMWGFBA-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.44
Rot. Bonds2

About 4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid

4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid (PubChem CID 63263044) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid
PubChem CID63263044
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid
SMILESCc1nn(-c2ncnc3cc(C(=O)O)ccc23)c(C)c1C
InChIInChI=1S/C15H14N4O2/c1-8-9(2)18-19(10(8)3)14-12-5-4-11(15(20)21)6-13(12)16-7-17-14/h4-7H,1-3H3,(H,20,21)
InChIKeyFGGZMMBRMWGFBA-UHFFFAOYSA-N
XLogP2.44
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid (CID 63263044) is 4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid is Cc1nn(-c2ncnc3cc(C(=O)O)ccc23)c(C)c1C.
What is the InChIKey of 4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid?
The InChIKey is FGGZMMBRMWGFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-8-9(2)18-19(10(8)3)14-12-5-4-11(15(20)21)6-13(12)16-7-17-14/h4-7H,1-3H3,(H,20,21).
What are the key properties of 4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid?
4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid is sourced from PubChem (CID 63263044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).