6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid

C14H17N3O2 — CID 116533312

IUPAC6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2cnn(CC)c2)ccc1C(=O)O
InChIInChI=1S/C14H17N3O2/c1-3-5-13-11(14(18)19)6-7-12(16-13)10-8-15-17(4-2)9-10/h6-9H,3-5H2,1-2H3,(H,18,19)
InChIKeyRLWRZUGYQHHFMX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.62
Rot. Bonds5

About 6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid

6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid (PubChem CID 116533312) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid
PubChem CID116533312
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2cnn(CC)c2)ccc1C(=O)O
InChIInChI=1S/C14H17N3O2/c1-3-5-13-11(14(18)19)6-7-12(16-13)10-8-15-17(4-2)9-10/h6-9H,3-5H2,1-2H3,(H,18,19)
InChIKeyRLWRZUGYQHHFMX-UHFFFAOYSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
3-(1-ethylpyrazol-4-yl)-2-fluorobenzoic acid
CID 107957133
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
6-(1-ethylpyrazol-4-yl)-1-methylindole-4-carboxylic acid
CID 171369425
6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid
CID 107355263
5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 62958306
2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
CID 116532989
6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
CID 116533195
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63346809
4-(1-ethylpyrazol-4-yl)-2,6-dimethylbenzoic acid
CID 172876924
2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methylbenzoic acid
CID 172914074

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid (CID 116533312) is 6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid is CCCc1nc(-c2cnn(CC)c2)ccc1C(=O)O.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid?
The InChIKey is RLWRZUGYQHHFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-5-13-11(14(18)19)6-7-12(16-13)10-8-15-17(4-2)9-10/h6-9H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid?
6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).