3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid

C11H11N3O2 — CID 67456871

IUPAC3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2cccnc2)cc1C(=O)O
InChIInChI=1S/C11H11N3O2/c1-2-10-9(11(15)16)7-14(13-10)8-4-3-5-12-6-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyPABXCBABZPFNCP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.53
Rot. Bonds3

About 3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid

3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid (PubChem CID 67456871) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
PubChem CID67456871
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2cccnc2)cc1C(=O)O
InChIInChI=1S/C11H11N3O2/c1-2-10-9(11(15)16)7-14(13-10)8-4-3-5-12-6-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyPABXCBABZPFNCP-UHFFFAOYSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 82295157
1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82297656
1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82301662
5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid
CID 58072535
3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride
CID 146381573
5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67119556
1-pyridin-3-yl-1,2,4-triazole-3-carboxylic acid
CID 76845333
7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine
CID 167604448
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
2-oxo-1-pyridin-3-ylpyridine-3-carboxylic acid
CID 21081587
1-(2-pyridin-3-ylindazol-4-yl)ethanone
CID 122516362
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid?
The IUPAC name of 3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid (CID 67456871) is 3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid is CCc1nn(-c2cccnc2)cc1C(=O)O.
What is the InChIKey of 3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid?
The InChIKey is PABXCBABZPFNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-10-9(11(15)16)7-14(13-10)8-4-3-5-12-6-8/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid?
3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 67456871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).