3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile

C15H14FN3 — CID 172990846

IUPAC3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2cnn(C3CCCC3)c2)c1
InChIInChI=1S/C15H14FN3/c16-14-6-11(8-17)5-12(7-14)13-9-18-19(10-13)15-3-1-2-4-15/h5-7,9-10,15H,1-4H2
InChIKeyZVEBXTZIDUWHBO-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.68
Rot. Bonds2

About 3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile

3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile (PubChem CID 172990846) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile
PubChem CID172990846
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2cnn(C3CCCC3)c2)c1
InChIInChI=1S/C15H14FN3/c16-14-6-11(8-17)5-12(7-14)13-9-18-19(10-13)15-3-1-2-4-15/h5-7,9-10,15H,1-4H2
InChIKeyZVEBXTZIDUWHBO-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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Related Compounds

3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile
CID 172990840
3-(1-cyclopentylpyrazol-4-yl)-5-methylbenzonitrile
CID 172989940
3-chloro-5-(1-cyclopropylpyrazol-4-yl)benzonitrile
CID 172990998
3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile
CID 172990845
2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile
CID 172989778
3-bromo-5-[1-(oxan-4-yl)pyrazol-4-yl]benzonitrile
CID 172990882
3-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)benzonitrile
CID 172990004
1-cyclobutylpyrazole-4-carbonitrile
CID 105429045
3-chloro-5-[1-(oxan-2-yl)pyrazol-4-yl]benzonitrile
CID 172991022
[3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine
CID 139327240
3-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzonitrile
CID 170765694
4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol
CID 171921837

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile?
The IUPAC name of 3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile (CID 172990846) is 3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile?
The canonical SMILES for 3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile is N#Cc1cc(F)cc(-c2cnn(C3CCCC3)c2)c1.
What is the InChIKey of 3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile?
The InChIKey is ZVEBXTZIDUWHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-14-6-11(8-17)5-12(7-14)13-9-18-19(10-13)15-3-1-2-4-15/h5-7,9-10,15H,1-4H2.
What are the key properties of 3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile?
3-(1-cyclopentylpyrazol-4-yl)-5-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 3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 172990846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).