2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile

C19H18FN5S — CID 56584424

IUPAC2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(Cn2ccc(-c3ccsc3)n2)CC1
InChIInChI=1S/C19H18FN5S/c20-17-2-1-3-19(16(17)12-21)24-9-7-23(8-10-24)14-25-6-4-18(22-25)15-5-11-26-13-15/h1-6,11,13H,7-10,14H2
InChIKeyIUZFLPNRYSSJSN-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.40
Rot. Bonds4

About 2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile

2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile (PubChem CID 56584424) has the molecular formula C19H18FN5S and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile
PubChem CID56584424
Molecular FormulaC19H18FN5S
Molecular Weight367.45 g/mol
Exact Mass367.13
IUPAC Name2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(Cn2ccc(-c3ccsc3)n2)CC1
InChIInChI=1S/C19H18FN5S/c20-17-2-1-3-19(16(17)12-21)24-9-7-23(8-10-24)14-25-6-4-18(22-25)15-5-11-26-13-15/h1-6,11,13H,7-10,14H2
InChIKeyIUZFLPNRYSSJSN-UHFFFAOYSA-N
XLogP3.40
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile (CID 56584424) is 2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile is N#Cc1c(F)cccc1N1CCN(Cn2ccc(-c3ccsc3)n2)CC1.
What is the InChIKey of 2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile?
The InChIKey is IUZFLPNRYSSJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5S/c20-17-2-1-3-19(16(17)12-21)24-9-7-23(8-10-24)14-25-6-4-18(22-25)15-5-11-26-13-15/h1-6,11,13H,7-10,14H2.
What are the key properties of 2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile?
2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile has a molecular weight of 367.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 56584424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).