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

C12H13N3O2 — CID 67119556

IUPAC5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)c(C)nn1-c1cccnc1
InChIInChI=1S/C12H13N3O2/c1-3-10-11(12(16)17)8(2)14-15(10)9-5-4-6-13-7-9/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyCHLFIKKYKPEHAZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.84
Rot. Bonds3

About 5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid

5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid (PubChem CID 67119556) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
PubChem CID67119556
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)c(C)nn1-c1cccnc1
InChIInChI=1S/C12H13N3O2/c1-3-10-11(12(16)17)8(2)14-15(10)9-5-4-6-13-7-9/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyCHLFIKKYKPEHAZ-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,5-dimethyl-1-pyridin-3-ylpyrazole-4-carboxylate
CID 171564003
5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid
CID 12826132
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
1-(3-methylphenyl)-5-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 3795407
3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67456871
1-(3-chlorophenyl)-3-methyl-5-pyridin-3-ylpyrazole-4-carboxylic acid
CID 82072886
N-cyclopropyl-5-ethyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 42818280
3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid
CID 3846496
3-cyclopropyl-5-ethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 24712724
1-pyridin-3-yl-1,2,4-triazole-3-carboxylic acid
CID 76845333
3-pyridin-3-yltriazole-4-carboxylic acid
CID 96625209
1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carboxylic acid
CID 43144906

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid (CID 67119556) is 5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid is CCc1c(C(=O)O)c(C)nn1-c1cccnc1.
What is the InChIKey of 5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid?
The InChIKey is CHLFIKKYKPEHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-10-11(12(16)17)8(2)14-15(10)9-5-4-6-13-7-9/h4-7H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid?
5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 67119556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).