2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile

C14H12FN3 — CID 82084653

IUPAC2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile
SMILESN#CCc1cc(C2CC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C14H12FN3/c15-11-2-1-3-13(8-11)18-14(10-4-5-10)9-12(17-18)6-7-16/h1-3,8-10H,4-6H2
InChIKeyOAZQWOHFHACXDZ-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.95
Rot. Bonds3

About 2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile

2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile (PubChem CID 82084653) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile
PubChem CID82084653
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile
SMILESN#CCc1cc(C2CC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C14H12FN3/c15-11-2-1-3-13(8-11)18-14(10-4-5-10)9-12(17-18)6-7-16/h1-3,8-10H,4-6H2
InChIKeyOAZQWOHFHACXDZ-UHFFFAOYSA-N
XLogP2.95
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile?
The IUPAC name of 2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile (CID 82084653) is 2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile?
The canonical SMILES for 2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile is N#CCc1cc(C2CC2)n(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile?
The InChIKey is OAZQWOHFHACXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-11-2-1-3-13(8-11)18-14(10-4-5-10)9-12(17-18)6-7-16/h1-3,8-10H,4-6H2.
What are the key properties of 2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile?
2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile has a molecular weight of 241.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile is sourced from PubChem (CID 82084653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).