4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile

C12H6FN5O2 — CID 136810239

IUPAC4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]ncc1-c1nc(-c2ccc(O)c(F)c2)no1
InChIInChI=1S/C12H6FN5O2/c13-8-3-6(1-2-10(8)19)11-16-12(20-18-11)7-5-15-17-9(7)4-14/h1-3,5,19H,(H,15,17)
InChIKeyPAAFYMHZWPLZML-UHFFFAOYSA-N
MW271.21 g/mol
LogP1.84
Rot. Bonds2

About 4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile

4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile (PubChem CID 136810239) has the molecular formula C12H6FN5O2 and a molecular weight of 271.21 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
PubChem CID136810239
Molecular FormulaC12H6FN5O2
Molecular Weight271.21 g/mol
Exact Mass271.05
IUPAC Name4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]ncc1-c1nc(-c2ccc(O)c(F)c2)no1
InChIInChI=1S/C12H6FN5O2/c13-8-3-6(1-2-10(8)19)11-16-12(20-18-11)7-5-15-17-9(7)4-14/h1-3,5,19H,(H,15,17)
InChIKeyPAAFYMHZWPLZML-UHFFFAOYSA-N
XLogP1.84
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The IUPAC name of 4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile (CID 136810239) is 4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile is N#Cc1[nH]ncc1-c1nc(-c2ccc(O)c(F)c2)no1.
What is the InChIKey of 4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The InChIKey is PAAFYMHZWPLZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FN5O2/c13-8-3-6(1-2-10(8)19)11-16-12(20-18-11)7-5-15-17-9(7)4-14/h1-3,5,19H,(H,15,17).
What are the key properties of 4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile has a molecular weight of 271.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 136810239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).