2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile

C15H14FN3 — CID 172989778

IUPAC2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1-c1cnn(C2CCCC2)c1
InChIInChI=1S/C15H14FN3/c16-13-6-5-11(8-17)15(7-13)12-9-18-19(10-12)14-3-1-2-4-14/h5-7,9-10,14H,1-4H2
InChIKeyKWYJRUADHDTFNU-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.68
Rot. Bonds2

About 2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile

2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile (PubChem CID 172989778) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile
PubChem CID172989778
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1-c1cnn(C2CCCC2)c1
InChIInChI=1S/C15H14FN3/c16-13-6-5-11(8-17)15(7-13)12-9-18-19(10-12)14-3-1-2-4-14/h5-7,9-10,14H,1-4H2
InChIKeyKWYJRUADHDTFNU-UHFFFAOYSA-N
XLogP3.68
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile?
The IUPAC name of 2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile (CID 172989778) is 2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile?
The canonical SMILES for 2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile is N#Cc1ccc(F)cc1-c1cnn(C2CCCC2)c1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile?
The InChIKey is KWYJRUADHDTFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-13-6-5-11(8-17)15(7-13)12-9-18-19(10-12)14-3-1-2-4-14/h5-7,9-10,14H,1-4H2.
What are the key properties of 2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile?
2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile has a molecular weight of 255.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile is sourced from PubChem (CID 172989778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).