1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid

C15H13N3O3 — CID 107314073

IUPAC1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid
SMILESCc1nn(C)c(Oc2ccc3cccnc3c2)c1C(=O)O
InChIInChI=1S/C15H13N3O3/c1-9-13(15(19)20)14(18(2)17-9)21-11-6-5-10-4-3-7-16-12(10)8-11/h3-8H,1-2H3,(H,19,20)
InChIKeyGYNXXEWZYBECQL-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.77
Rot. Bonds3

About 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid

1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid (PubChem CID 107314073) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid
PubChem CID107314073
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid
SMILESCc1nn(C)c(Oc2ccc3cccnc3c2)c1C(=O)O
InChIInChI=1S/C15H13N3O3/c1-9-13(15(19)20)14(18(2)17-9)21-11-6-5-10-4-3-7-16-12(10)8-11/h3-8H,1-2H3,(H,19,20)
InChIKeyGYNXXEWZYBECQL-UHFFFAOYSA-N
XLogP2.77
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-5-quinolin-7-yloxypyrazole-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

Related Compounds

1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde
CID 107314064
1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid
CID 43144906
5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid
CID 61000631
1,3-dimethyl-5-(3-nitrophenoxy)pyrazole-4-carboxylic acid
CID 61031648
CID 11028273
CID 11028273
1,3-dimethyl-5-(4-methylsulfonylphenoxy)pyrazole-4-carboxylic acid
CID 43807116
4-methyl-2-quinolin-7-yloxybenzoic acid
CID 107313379
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857
2-chloro-4-quinolin-7-yloxybenzoic acid
CID 107315358
5-[4-(cyanomethyl)phenoxy]-1,3-dimethylpyrazole-4-carboxylic acid
CID 28952454
quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
1,3-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazole-4-carboxylic acid
CID 106598525

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid (CID 107314073) is 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid is Cc1nn(C)c(Oc2ccc3cccnc3c2)c1C(=O)O.
What is the InChIKey of 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid?
The InChIKey is GYNXXEWZYBECQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-13(15(19)20)14(18(2)17-9)21-11-6-5-10-4-3-7-16-12(10)8-11/h3-8H,1-2H3,(H,19,20).
What are the key properties of 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid?
1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carboxylic acid is sourced from PubChem (CID 107314073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).