5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid

C14H11N3O2 — CID 56720697

IUPAC5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1cnc2ccccc2c1
InChIInChI=1S/C14H11N3O2/c1-9-6-13(14(18)19)16-17(9)11-7-10-4-2-3-5-12(10)15-8-11/h2-8H,1H3,(H,18,19)
InChIKeyWLKRZIOMUXNFSG-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.43
Rot. Bonds2

About 5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid

5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid (PubChem CID 56720697) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid
PubChem CID56720697
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1cnc2ccccc2c1
InChIInChI=1S/C14H11N3O2/c1-9-6-13(14(18)19)16-17(9)11-7-10-4-2-3-5-12(10)15-8-11/h2-8H,1H3,(H,18,19)
InChIKeyWLKRZIOMUXNFSG-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid (CID 56720697) is 5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1-c1cnc2ccccc2c1.
What is the InChIKey of 5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid?
The InChIKey is WLKRZIOMUXNFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-6-13(14(18)19)16-17(9)11-7-10-4-2-3-5-12(10)15-8-11/h2-8H,1H3,(H,18,19).
What are the key properties of 5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid?
5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-quinolin-3-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 56720697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).