6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid

C14H17N3O2 — CID 80632665

IUPAC6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid
SMILESCCc1c(C)nn(-c2ncc(C(=O)O)cc2C)c1C
InChIInChI=1S/C14H17N3O2/c1-5-12-9(3)16-17(10(12)4)13-8(2)6-11(7-15-13)14(18)19/h6-7H,5H2,1-4H3,(H,18,19)
InChIKeyCBHSKJJJYAVNJU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.45
Rot. Bonds3

About 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid

6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid (PubChem CID 80632665) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid
PubChem CID80632665
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid
SMILESCCc1c(C)nn(-c2ncc(C(=O)O)cc2C)c1C
InChIInChI=1S/C14H17N3O2/c1-5-12-9(3)16-17(10(12)4)13-8(2)6-11(7-15-13)14(18)19/h6-7H,5H2,1-4H3,(H,18,19)
InChIKeyCBHSKJJJYAVNJU-UHFFFAOYSA-N
XLogP2.45
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid (CID 80632665) is 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid is CCc1c(C)nn(-c2ncc(C(=O)O)cc2C)c1C.
What is the InChIKey of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid?
The InChIKey is CBHSKJJJYAVNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-5-12-9(3)16-17(10(12)4)13-8(2)6-11(7-15-13)14(18)19/h6-7H,5H2,1-4H3,(H,18,19).
What are the key properties of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid?
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80632665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).