1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid

C18H17N3O3 — CID 169196910

IUPAC1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid
SMILESCOc1c(C(=O)O)cnn1-c1cccc(-c2cccc(C)c2C)n1
InChIInChI=1S/C18H17N3O3/c1-11-6-4-7-13(12(11)2)15-8-5-9-16(20-15)21-17(24-3)14(10-19-21)18(22)23/h4-10H,1-3H3,(H,22,23)
InChIKeyNJLQCQKBSNJTDV-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.26
Rot. Bonds4

About 1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid

1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid (PubChem CID 169196910) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid
PubChem CID169196910
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid
SMILESCOc1c(C(=O)O)cnn1-c1cccc(-c2cccc(C)c2C)n1
InChIInChI=1S/C18H17N3O3/c1-11-6-4-7-13(12(11)2)15-8-5-9-16(20-15)21-17(24-3)14(10-19-21)18(22)23/h4-10H,1-3H3,(H,22,23)
InChIKeyNJLQCQKBSNJTDV-UHFFFAOYSA-N
XLogP3.26
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-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-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-ethoxypyrazole-4-carboxylic acid;6-ethyl-2-(1-methoxypropan-2-yl)-8-methyl-3,4-dihydro-1H-isoquinoline
CID 169196948
1-[6-[2-[[2-[(3,3-difluorocyclobutyl)methyl]-5-methyl-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid
CID 73442280
5-methoxy-1-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 73441937
5-methoxy-1-[6-[3-methyl-2-[[5-methyl-2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 123289929
5-methoxy-1-[6-[3-methyl-2-[[(7E)-1-methyl-7-[[(3R)-oxolan-3-yl]methyl]-5,6,9,10-tetrahydrobenzo[8]annulen-2-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 174245779
ethyl 1-[6-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylate
CID 136640772
1-[6-[3-chloro-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-5-ethoxypyrazole-4-carboxylic acid
CID 73442518
sodium;5-methoxy-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid;5-methoxy-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-1-oxo-3,4-dihydroisoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid;chlorite
CID 161180677
1-[6-[3-methyl-2-[[5-methyl-2-(oxetan-3-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-propan-2-yloxypyrazole-4-carboxylic acid
CID 73442460
1-[6-[2-[2-[8-fluoro-2-[[(2R)-oxan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]ethoxy]-3-methylphenyl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid
CID 174245822
5-methyl-1-[6-[2-[[4-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 71570465
1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid
CID 115069036

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid (CID 169196910) is 1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid is COc1c(C(=O)O)cnn1-c1cccc(-c2cccc(C)c2C)n1.
What is the InChIKey of 1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid?
The InChIKey is NJLQCQKBSNJTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-6-4-7-13(12(11)2)15-8-5-9-16(20-15)21-17(24-3)14(10-19-21)18(22)23/h4-10H,1-3H3,(H,22,23).
What are the key properties of 1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid?
1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dimethylphenyl)-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid is sourced from PubChem (CID 169196910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).