2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid

C16H15N3O2 — CID 6485409

IUPAC2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid
SMILESCc1cc(C)n(Cc2cc(C(=O)O)c3ccccc3n2)n1
InChIInChI=1S/C16H15N3O2/c1-10-7-11(2)19(18-10)9-12-8-14(16(20)21)13-5-3-4-6-15(13)17-12/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyFDFSWSNDSXVJNV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.79
Rot. Bonds3

About 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid

2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid (PubChem CID 6485409) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid
PubChem CID6485409
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid
SMILESCc1cc(C)n(Cc2cc(C(=O)O)c3ccccc3n2)n1
InChIInChI=1S/C16H15N3O2/c1-10-7-11(2)19(18-10)9-12-8-14(16(20)21)13-5-3-4-6-15(13)17-12/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyFDFSWSNDSXVJNV-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid (CID 6485409) is 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid is Cc1cc(C)n(Cc2cc(C(=O)O)c3ccccc3n2)n1.
What is the InChIKey of 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
The InChIKey is FDFSWSNDSXVJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-7-11(2)19(18-10)9-12-8-14(16(20)21)13-5-3-4-6-15(13)17-12/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 6485409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).