5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

C11H8FN5O — CID 64528095

IUPAC5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(-c3ccc(F)cc3)no2)[nH]n1
InChIInChI=1S/C11H8FN5O/c12-7-3-1-6(2-4-7)10-14-11(18-17-10)8-5-9(13)16-15-8/h1-5H,(H3,13,15,16)
InChIKeyNLWJDSLFGOXYFI-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.85
Rot. Bonds2

About 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 64528095) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID64528095
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(-c3ccc(F)cc3)no2)[nH]n1
InChIInChI=1S/C11H8FN5O/c12-7-3-1-6(2-4-7)10-14-11(18-17-10)8-5-9(13)16-15-8/h1-5H,(H3,13,15,16)
InChIKeyNLWJDSLFGOXYFI-UHFFFAOYSA-N
XLogP1.85
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64527311
4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43514752
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43514715
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 115533139
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 20941123
5-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 82896370
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058185
5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 20941125
5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine
CID 79404984
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62793211
5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117308914

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 64528095) is 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is Nc1cc(-c2nc(-c3ccc(F)cc3)no2)[nH]n1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is NLWJDSLFGOXYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c12-7-3-1-6(2-4-7)10-14-11(18-17-10)8-5-9(13)16-15-8/h1-5H,(H3,13,15,16).
What are the key properties of 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 245.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 64528095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).