3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile

C14H8FN5 — CID 122185325

IUPAC3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C14H8FN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H
InChIKeyNCHHUFRUEZCIEJ-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.34
Rot. Bonds2

About 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile

3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile (PubChem CID 122185325) has the molecular formula C14H8FN5 and a molecular weight of 265.25 g/mol. Its IUPAC name is 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile
PubChem CID122185325
Molecular FormulaC14H8FN5
Molecular Weight265.25 g/mol
Exact Mass265.08
IUPAC Name3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile
SMILESN#Cc1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C14H8FN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H
InChIKeyNCHHUFRUEZCIEJ-UHFFFAOYSA-N
XLogP2.34
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile (CID 122185325) is 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile is N#Cc1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1.
What is the InChIKey of 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile?
The InChIKey is NCHHUFRUEZCIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H.
What are the key properties of 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile?
3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile has a molecular weight of 265.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile is sourced from PubChem (CID 122185325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).