3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid

C14H14FN3O3 — CID 117470364

IUPAC3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)ccc2N2CCOCC2)n[nH]1
InChIInChI=1S/C14H14FN3O3/c15-9-1-2-13(18-3-5-21-6-4-18)10(7-9)11-8-12(14(19)20)17-16-11/h1-2,7-8H,3-6H2,(H,16,17)(H,19,20)
InChIKeyUYKXNKJJXATFFA-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.75
Rot. Bonds3

About 3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid

3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117470364) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117470364
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)ccc2N2CCOCC2)n[nH]1
InChIInChI=1S/C14H14FN3O3/c15-9-1-2-13(18-3-5-21-6-4-18)10(7-9)11-8-12(14(19)20)17-16-11/h1-2,7-8H,3-6H2,(H,16,17)(H,19,20)
InChIKeyUYKXNKJJXATFFA-UHFFFAOYSA-N
XLogP1.75
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117470364) is 3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(F)ccc2N2CCOCC2)n[nH]1.
What is the InChIKey of 3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is UYKXNKJJXATFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-9-1-2-13(18-3-5-21-6-4-18)10(7-9)11-8-12(14(19)20)17-16-11/h1-2,7-8H,3-6H2,(H,16,17)(H,19,20).
What are the key properties of 3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117470364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).