5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid

C14H17N3O3 — CID 98019091

IUPAC5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCCOc1ccc(-c2c(C(=O)O)nn(C)c2N)cc1C
InChIInChI=1S/C14H17N3O3/c1-4-20-10-6-5-9(7-8(10)2)11-12(14(18)19)16-17(3)13(11)15/h5-7H,4,15H2,1-3H3,(H,18,19)
InChIKeyQJXLHGSQEUNWBV-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.07
Rot. Bonds4

About 5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid

5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 98019091) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID98019091
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCCOc1ccc(-c2c(C(=O)O)nn(C)c2N)cc1C
InChIInChI=1S/C14H17N3O3/c1-4-20-10-6-5-9(7-8(10)2)11-12(14(18)19)16-17(3)13(11)15/h5-7H,4,15H2,1-3H3,(H,18,19)
InChIKeyQJXLHGSQEUNWBV-UHFFFAOYSA-N
XLogP2.07
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-methyl-4-phenylpyrazole-3-carboxylic acid
CID 82078910
5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine
CID 82474889
2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95482127
4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid
CID 82486252
5-amino-4-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 82091667
2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid
CID 71083072
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
4-(4-ethoxy-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82486560
2-(4-ethoxy-3-methylphenyl)-2-oxoacetamide
CID 116924441
5-(3-amino-4-ethoxyphenyl)-1-ethyltriazole-4-carboxylic acid
CID 82207202
5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide
CID 116883976
3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82486573

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid (CID 98019091) is 5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid is CCOc1ccc(-c2c(C(=O)O)nn(C)c2N)cc1C.
What is the InChIKey of 5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is QJXLHGSQEUNWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-20-10-6-5-9(7-8(10)2)11-12(14(18)19)16-17(3)13(11)15/h5-7H,4,15H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 98019091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).