3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid

C12H10FN3O4 — CID 64527861

IUPAC3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(COc1ccccc1F)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H10FN3O4/c13-7-3-1-2-4-9(7)20-6-11(17)14-10-5-8(12(18)19)15-16-10/h1-5H,6H2,(H,18,19)(H2,14,15,16,17)
InChIKeyIVORUWVCDBWBDH-UHFFFAOYSA-N
MW279.23 g/mol
LogP1.26
Rot. Bonds5

About 3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid

3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64527861) has the molecular formula C12H10FN3O4 and a molecular weight of 279.23 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64527861
Molecular FormulaC12H10FN3O4
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(COc1ccccc1F)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H10FN3O4/c13-7-3-1-2-4-9(7)20-6-11(17)14-10-5-8(12(18)19)15-16-10/h1-5H,6H2,(H,18,19)(H2,14,15,16,17)
InChIKeyIVORUWVCDBWBDH-UHFFFAOYSA-N
XLogP1.26
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526690
3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid
CID 64529225
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide
CID 71847066
2-(2-fluorophenoxy)-N-(5-phenyl-3-pyridinyl)acetamide
CID 110713734
2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 55990529
N-(4-chloro-2-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 7961385
3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528831
2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63174643
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
2-[[2-(2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 78910308

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid (CID 64527861) is 3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid is O=C(COc1ccccc1F)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is IVORUWVCDBWBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4/c13-7-3-1-2-4-9(7)20-6-11(17)14-10-5-8(12(18)19)15-16-10/h1-5H,6H2,(H,18,19)(H2,14,15,16,17).
What are the key properties of 3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 279.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).