3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid

C15H17N3O3 — CID 117463567

IUPAC3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1c(-c2cc(C(=O)O)[nH]n2)ccc2c1CCCN2C
InChIInChI=1S/C15H17N3O3/c1-18-7-3-4-10-13(18)6-5-9(14(10)21-2)11-8-12(15(19)20)17-16-11/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H,19,20)
InChIKeySTMWKNPQHYAPNE-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.17
Rot. Bonds3

About 3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid

3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117463567) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID117463567
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1c(-c2cc(C(=O)O)[nH]n2)ccc2c1CCCN2C
InChIInChI=1S/C15H17N3O3/c1-18-7-3-4-10-13(18)6-5-9(14(10)21-2)11-8-12(15(19)20)17-16-11/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H,19,20)
InChIKeySTMWKNPQHYAPNE-UHFFFAOYSA-N
XLogP2.17
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495825
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoacetic acid
CID 117375678
3-(2,3-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117474782
3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine
CID 117399598
5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine
CID 117362780
methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117417057
3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117465689
3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117478380
1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol
CID 117338640
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
3-(4-tert-butyl-5-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117465866

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid (CID 117463567) is 3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid is COc1c(-c2cc(C(=O)O)[nH]n2)ccc2c1CCCN2C.
What is the InChIKey of 3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is STMWKNPQHYAPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-7-3-4-10-13(18)6-5-9(14(10)21-2)11-8-12(15(19)20)17-16-11/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid?
3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117463567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).