3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid

C13H12FN3O4 — CID 64529225

IUPAC3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(CCOc1ccc(F)cc1)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C13H12FN3O4/c14-8-1-3-9(4-2-8)21-6-5-12(18)15-11-7-10(13(19)20)16-17-11/h1-4,7H,5-6H2,(H,19,20)(H2,15,16,17,18)
InChIKeyOLZHDAZVVBHFFJ-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.65
Rot. Bonds6

About 3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid

3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64529225) has the molecular formula C13H12FN3O4 and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid
PubChem CID64529225
Molecular FormulaC13H12FN3O4
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(CCOc1ccc(F)cc1)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C13H12FN3O4/c14-8-1-3-9(4-2-8)21-6-5-12(18)15-11-7-10(13(19)20)16-17-11/h1-4,7H,5-6H2,(H,19,20)(H2,15,16,17,18)
InChIKeyOLZHDAZVVBHFFJ-UHFFFAOYSA-N
XLogP1.65
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 47351806
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid
CID 19624681
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide
CID 28938605
N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31893094
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid (CID 64529225) is 3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid is O=C(CCOc1ccc(F)cc1)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is OLZHDAZVVBHFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O4/c14-8-1-3-9(4-2-8)21-6-5-12(18)15-11-7-10(13(19)20)16-17-11/h1-4,7H,5-6H2,(H,19,20)(H2,15,16,17,18).
What are the key properties of 3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid?
3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 293.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64529225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).