5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid

C14H12N4O2 — CID 82590054

IUPAC5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(-c2ccc3ccccc3n2)c1N
InChIInChI=1S/C14H12N4O2/c1-8-12(14(19)20)17-18(13(8)15)11-7-6-9-4-2-3-5-10(9)16-11/h2-7H,15H2,1H3,(H,19,20)
InChIKeyXLNOZZFNFFKZPK-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.01
Rot. Bonds2

About 5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid

5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid (PubChem CID 82590054) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid
PubChem CID82590054
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(-c2ccc3ccccc3n2)c1N
InChIInChI=1S/C14H12N4O2/c1-8-12(14(19)20)17-18(13(8)15)11-7-6-9-4-2-3-5-10(9)16-11/h2-7H,15H2,1H3,(H,19,20)
InChIKeyXLNOZZFNFFKZPK-UHFFFAOYSA-N
XLogP2.01
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 108783886
ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate
CID 107346740
5-amino-1-benzyl-4-methylpyrazole-3-carboxylic acid
CID 82589961
(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108810887
4-oxo-1-quinolin-2-yl-6,7-dihydro-5H-indazole-3-carboxamide
CID 110458519
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976356
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 82590028
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
3-methyl-1-quinolin-2-ylpyrazolo[5,4-b]pyridin-5-amine
CID 82043940

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid (CID 82590054) is 5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid is Cc1c(C(=O)O)nn(-c2ccc3ccccc3n2)c1N.
What is the InChIKey of 5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is XLNOZZFNFFKZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-12(14(19)20)17-18(13(8)15)11-7-6-9-4-2-3-5-10(9)16-11/h2-7H,15H2,1H3,(H,19,20).
What are the key properties of 5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid?
5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82590054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).