5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid

C15H13N3O2 — CID 71460738

IUPAC5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1Cc1ccc2ccccc2n1
InChIInChI=1S/C15H13N3O2/c1-9-12(14(15(19)20)18-17-9)8-11-7-6-10-4-2-3-5-13(10)16-11/h2-7H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyDSGAXEDAADRTLY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.56
Rot. Bonds3

About 5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid

5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid (PubChem CID 71460738) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid
PubChem CID71460738
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1Cc1ccc2ccccc2n1
InChIInChI=1S/C15H13N3O2/c1-9-12(14(15(19)20)18-17-9)8-11-7-6-10-4-2-3-5-13(10)16-11/h2-7H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyDSGAXEDAADRTLY-UHFFFAOYSA-N
XLogP2.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid (CID 71460738) is 5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1Cc1ccc2ccccc2n1.
What is the InChIKey of 5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is DSGAXEDAADRTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-12(14(15(19)20)18-17-9)8-11-7-6-10-4-2-3-5-13(10)16-11/h2-7H,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid?
5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(quinolin-2-ylmethyl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 71460738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).