2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid

C14H15N3O4 — CID 81496106

IUPAC2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1cnn(-c2nc(C)cc(C)c2C(=O)O)c1
InChIInChI=1S/C14H15N3O4/c1-4-21-14(20)10-6-15-17(7-10)12-11(13(18)19)8(2)5-9(3)16-12/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeySZTVCHSIRKROGC-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.76
Rot. Bonds4

About 2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid

2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81496106) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID81496106
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1cnn(-c2nc(C)cc(C)c2C(=O)O)c1
InChIInChI=1S/C14H15N3O4/c1-4-21-14(20)10-6-15-17(7-10)12-11(13(18)19)8(2)5-9(3)16-12/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeySZTVCHSIRKROGC-UHFFFAOYSA-N
XLogP1.76
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-(4-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 81497583
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
ethyl 1-(4-amino-6-chloro-2-pyridinyl)pyrazole-4-carboxylate
CID 114070657
ethyl 1-(2-chloropyrimidin-4-yl)pyrazole-4-carboxylate
CID 81497796
ethyl 1-(4-amino-5-chloro-2-methylphenyl)pyrazole-4-carboxylate
CID 115555196
ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate
CID 114049975
ethyl 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazole-4-carboxylate
CID 81495243
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
ethyl 1-(2-acetylphenyl)pyrazole-4-carboxylate
CID 81499002
ethyl 1-(2-amino-4-methylphenyl)pyrazole-4-carboxylate
CID 81498302
ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate
CID 81494829
ethyl 1-(2-cyano-5-methylphenyl)pyrazole-4-carboxylate
CID 81498402

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid (CID 81496106) is 2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid is CCOC(=O)c1cnn(-c2nc(C)cc(C)c2C(=O)O)c1.
What is the InChIKey of 2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is SZTVCHSIRKROGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-4-21-14(20)10-6-15-17(7-10)12-11(13(18)19)8(2)5-9(3)16-12/h5-7H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycarbonylpyrazol-1-yl)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81496106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).