4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile

C21H18F2N4 — CID 144901421

IUPAC4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile
SMILESN#CC1(F)CCN(c2ccc(-c3cnn(-c4ccc(F)cc4)c3)cc2)CC1
InChIInChI=1S/C21H18F2N4/c22-18-3-7-20(8-4-18)27-14-17(13-25-27)16-1-5-19(6-2-16)26-11-9-21(23,15-24)10-12-26/h1-8,13-14H,9-12H2
InChIKeyFTJZYLSHYQYFSX-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.51
Rot. Bonds3

About 4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile

4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile (PubChem CID 144901421) has the molecular formula C21H18F2N4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile
PubChem CID144901421
Molecular FormulaC21H18F2N4
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Name4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile
SMILESN#CC1(F)CCN(c2ccc(-c3cnn(-c4ccc(F)cc4)c3)cc2)CC1
InChIInChI=1S/C21H18F2N4/c22-18-3-7-20(8-4-18)27-14-17(13-25-27)16-1-5-19(6-2-16)26-11-9-21(23,15-24)10-12-26/h1-8,13-14H,9-12H2
InChIKeyFTJZYLSHYQYFSX-UHFFFAOYSA-N
XLogP4.51
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile?
The IUPAC name of 4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile (CID 144901421) is 4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile is N#CC1(F)CCN(c2ccc(-c3cnn(-c4ccc(F)cc4)c3)cc2)CC1.
What is the InChIKey of 4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile?
The InChIKey is FTJZYLSHYQYFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4/c22-18-3-7-20(8-4-18)27-14-17(13-25-27)16-1-5-19(6-2-16)26-11-9-21(23,15-24)10-12-26/h1-8,13-14H,9-12H2.
What are the key properties of 4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile?
4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile has a molecular weight of 364.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile is sourced from PubChem (CID 144901421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).