6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid

C14H11N3O2 — CID 154942037

IUPAC6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
SMILESCc1[nH]ncc1-c1ccc2nccc(C(=O)O)c2c1
InChIInChI=1S/C14H11N3O2/c1-8-12(7-16-17-8)9-2-3-13-11(6-9)10(14(18)19)4-5-15-13/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyOGZSBMHPGNIHDE-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.63
Rot. Bonds2

About 6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid

6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid (PubChem CID 154942037) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
PubChem CID154942037
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
SMILESCc1[nH]ncc1-c1ccc2nccc(C(=O)O)c2c1
InChIInChI=1S/C14H11N3O2/c1-8-12(7-16-17-8)9-2-3-13-11(6-9)10(14(18)19)4-5-15-13/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyOGZSBMHPGNIHDE-UHFFFAOYSA-N
XLogP2.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride
CID 22031572
4-[(3R)-3-methoxypyrrolidin-1-yl]-6-(5-methyl-1H-pyrazol-4-yl)quinoline;dihydrochloride
CID 68811812
6-ethylquinoline-4-carboxylic acid
CID 83527113
[2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid
CID 91365212
6-aminoquinoline-4-carboxylic acid;dihydrochloride
CID 171397441
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid
CID 160801949
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone
CID 39222026
6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 161139788
5-methyl-4-phenyl-1H-pyrazole;phosphoric acid
CID 154878944
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid
CID 39220149

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid (CID 154942037) is 6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid is Cc1[nH]ncc1-c1ccc2nccc(C(=O)O)c2c1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid?
The InChIKey is OGZSBMHPGNIHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-8-12(7-16-17-8)9-2-3-13-11(6-9)10(14(18)19)4-5-15-13/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid?
6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 154942037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).