2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid

C15H13N3O2 — CID 19585911

IUPAC2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid
SMILESCc1ccn(Cc2cc(C(=O)O)c3ccccc3n2)n1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-18(17-10)9-11-8-13(15(19)20)12-4-2-3-5-14(12)16-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyIVPLAALQJVNYEU-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.49
Rot. Bonds3

About 2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid

2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid (PubChem CID 19585911) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid
PubChem CID19585911
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid
SMILESCc1ccn(Cc2cc(C(=O)O)c3ccccc3n2)n1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-18(17-10)9-11-8-13(15(19)20)12-4-2-3-5-14(12)16-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyIVPLAALQJVNYEU-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Quinolinecarboxylic acid
CID 10243
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
2-(Pyridin-2-yl)quinoline-4-carboxylic acid
CID 24103
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
2-(1,5-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 3164943
2-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-quinolinecarboxylic acid
CID 6485411
1-(2-Aminoethyl)-3-[2-(Quinolin-3-Yl)pyridin-4-Yl]-1h-Pyrazole-5-Carboxylic Acid
CID 9826115
methyl 4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-6-carboxylate
CID 24776250
2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485380
8-Methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 3768281
Cinchoninic acid, 6-methyl-2-(3-pyridyl)-
CID 21187
2-(1,3-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485381

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid (CID 19585911) is 2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid is Cc1ccn(Cc2cc(C(=O)O)c3ccccc3n2)n1.
What is the InChIKey of 2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
The InChIKey is IVPLAALQJVNYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-6-7-18(17-10)9-11-8-13(15(19)20)12-4-2-3-5-14(12)16-11/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 19585911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).