5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid

C18H17N3O3 — CID 82072302

IUPAC5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESCCOc1ccc(-c2c(C(=O)O)c(C)nn2-c2ccccn2)cc1
InChIInChI=1S/C18H17N3O3/c1-3-24-14-9-7-13(8-10-14)17-16(18(22)23)12(2)20-21(17)15-6-4-5-11-19-15/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyLRMPDMJVGKRHFS-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.34
Rot. Bonds5

About 5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid

5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid (PubChem CID 82072302) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
PubChem CID82072302
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESCCOc1ccc(-c2c(C(=O)O)c(C)nn2-c2ccccn2)cc1
InChIInChI=1S/C18H17N3O3/c1-3-24-14-9-7-13(8-10-14)17-16(18(22)23)12(2)20-21(17)15-6-4-5-11-19-15/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyLRMPDMJVGKRHFS-UHFFFAOYSA-N
XLogP3.34
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 135371375
2-[3-(4-ethoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328957
1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 82072143
triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 141206427
5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid
CID 23732214
4-[4-ethyl-3-(4-hydroxyphenyl)-1-pyridin-2-ylpyrazol-5-yl]phenol
CID 135693427
(Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one
CID 102202777
3-(4-ethoxyphenyl)pyridine-2-carboxylic acid
CID 82085089
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
3-methyl-5-(4-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid
CID 15448847
ethyl 5-[4-[4-(2-phenoxyacetyl)piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate
CID 46084973

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid (CID 82072302) is 5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid is CCOc1ccc(-c2c(C(=O)O)c(C)nn2-c2ccccn2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is LRMPDMJVGKRHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-14-9-7-13(8-10-14)17-16(18(22)23)12(2)20-21(17)15-6-4-5-11-19-15/h4-11H,3H2,1-2H3,(H,22,23).
What are the key properties of 5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82072302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).