3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid

C12H13N3O3 — CID 82479753

IUPAC3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
SMILESCCOc1ccc(-c2[nH]nc(N)c2C(=O)O)cc1
InChIInChI=1S/C12H13N3O3/c1-2-18-8-5-3-7(4-6-8)10-9(12(16)17)11(13)15-14-10/h3-6H,2H2,1H3,(H,16,17)(H3,13,14,15)
InChIKeyMQPOPVFJGLHTEG-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid

3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 82479753) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
PubChem CID82479753
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
SMILESCCOc1ccc(-c2[nH]nc(N)c2C(=O)O)cc1
InChIInChI=1S/C12H13N3O3/c1-2-18-8-5-3-7(4-6-8)10-9(12(16)17)11(13)15-14-10/h3-6H,2H2,1H3,(H,16,17)(H3,13,14,15)
InChIKeyMQPOPVFJGLHTEG-UHFFFAOYSA-N
XLogP1.76
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-5-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 144571706
2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 53443474
4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921935
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485027
6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82484338
3-amino-5-(7-ethoxy-1,2-dihydroquinolin-3-yl)-1H-pyrazole-4-carboxamide
CID 137216789
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
6-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22426568
3-amino-4-ethoxy-1H-pyrazole-5-carboxylic acid
CID 151885959
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
3-(4-ethoxyphenyl)pyridine-2-carboxylic acid
CID 82085089

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid (CID 82479753) is 3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid is CCOc1ccc(-c2[nH]nc(N)c2C(=O)O)cc1.
What is the InChIKey of 3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is MQPOPVFJGLHTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-18-8-5-3-7(4-6-8)10-9(12(16)17)11(13)15-14-10/h3-6H,2H2,1H3,(H,16,17)(H3,13,14,15).
What are the key properties of 3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid?
3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 82479753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).