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

C12H12FN3O3 — CID 82486573

IUPAC3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESCCOc1ccc(-c2c(N)n[nH]c2C(=O)O)cc1F
InChIInChI=1S/C12H12FN3O3/c1-2-19-8-4-3-6(5-7(8)13)9-10(12(17)18)15-16-11(9)14/h3-5H,2H2,1H3,(H,17,18)(H3,14,15,16)
InChIKeyHBYUGRNHUXYWFM-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.89
Rot. Bonds4

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

3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 82486573) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID82486573
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESCCOc1ccc(-c2c(N)n[nH]c2C(=O)O)cc1F
InChIInChI=1S/C12H12FN3O3/c1-2-19-8-4-3-6(5-7(8)13)9-10(12(17)18)15-16-11(9)14/h3-5H,2H2,1H3,(H,17,18)(H3,14,15,16)
InChIKeyHBYUGRNHUXYWFM-UHFFFAOYSA-N
XLogP1.89
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82086444
3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485027
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
4-(4-ethoxy-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82486560
4-amino-2-(4-ethoxy-3-fluorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82303643
2-[3-(4-ethoxy-3-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96663706
5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-amine
CID 82286480
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 69110371
4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 95478845
2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid
CID 82303646
3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82079954
5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 82486561

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid (CID 82486573) is 3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid is CCOc1ccc(-c2c(N)n[nH]c2C(=O)O)cc1F.
What is the InChIKey of 3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is HBYUGRNHUXYWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-2-19-8-4-3-6(5-7(8)13)9-10(12(17)18)15-16-11(9)14/h3-5H,2H2,1H3,(H,17,18)(H3,14,15,16).
What are the key properties of 3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 265.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 82486573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).