3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile

C16H16FN3 — CID 172990845

IUPAC3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2cnn(CC3CCCC3)c2)c1
InChIInChI=1S/C16H16FN3/c17-16-6-13(8-18)5-14(7-16)15-9-19-20(11-15)10-12-3-1-2-4-12/h5-7,9,11-12H,1-4,10H2
InChIKeyIZCFINSPVLARDR-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.75
Rot. Bonds3

About 3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile

3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile (PubChem CID 172990845) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile
PubChem CID172990845
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2cnn(CC3CCCC3)c2)c1
InChIInChI=1S/C16H16FN3/c17-16-6-13(8-18)5-14(7-16)15-9-19-20(11-15)10-12-3-1-2-4-12/h5-7,9,11-12H,1-4,10H2
InChIKeyIZCFINSPVLARDR-UHFFFAOYSA-N
XLogP3.75
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-methylbenzonitrile
CID 172989938
3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-(trifluoromethoxy)benzonitrile
CID 172990985
3-bromo-5-[1-(cyclopropylmethyl)pyrazol-4-yl]benzonitrile
CID 172990860
3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile
CID 172990846
3-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzonitrile
CID 170765694
3-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(trifluoromethoxy)benzonitrile
CID 172990967
3-bromo-5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzonitrile
CID 172990879
3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile
CID 172990840
3-fluoro-5-(1-pentylpyrazol-4-yl)benzonitrile
CID 172990844
2-[1-(cyclohexylmethyl)pyrazol-4-yl]-4-methylbenzonitrile
CID 172915473
tert-butyl 4-[[4-[3-cyano-5-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 172990006
3-[1-(cyclohexylmethyl)pyrazol-4-yl]-5-(difluoromethyl)aniline
CID 171394110

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile?
The IUPAC name of 3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile (CID 172990845) is 3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile.
What is the SMILES notation for 3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile?
The canonical SMILES for 3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile is N#Cc1cc(F)cc(-c2cnn(CC3CCCC3)c2)c1.
What is the InChIKey of 3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile?
The InChIKey is IZCFINSPVLARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c17-16-6-13(8-18)5-14(7-16)15-9-19-20(11-15)10-12-3-1-2-4-12/h5-7,9,11-12H,1-4,10H2.
What are the key properties of 3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile?
3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile has a molecular weight of 269.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile is sourced from PubChem (CID 172990845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).