1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid

C14H11N3O2 — CID 63229400

IUPAC1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid
SMILESCc1cc2ccccc2nc1-n1cc(C(=O)O)cn1
InChIInChI=1S/C14H11N3O2/c1-9-6-10-4-2-3-5-12(10)16-13(9)17-8-11(7-15-17)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyRBBZUCKHRLXLSZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.43
Rot. Bonds2

About 1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid

1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid (PubChem CID 63229400) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid
PubChem CID63229400
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid
SMILESCc1cc2ccccc2nc1-n1cc(C(=O)O)cn1
InChIInChI=1S/C14H11N3O2/c1-9-6-10-4-2-3-5-12(10)16-13(9)17-8-11(7-15-17)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyRBBZUCKHRLXLSZ-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 1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid (CID 63229400) is 1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid is Cc1cc2ccccc2nc1-n1cc(C(=O)O)cn1.
What is the InChIKey of 1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is RBBZUCKHRLXLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-6-10-4-2-3-5-12(10)16-13(9)17-8-11(7-15-17)14(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid?
1-(3-methylquinolin-2-yl)pyrazole-4-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 1-(3-methylquinolin-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 63229400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).