4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole

C14H15FN2O — CID 117229594

IUPAC4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole
SMILESFc1ccccc1-n1cc(OC2CCCC2)cn1
InChIInChI=1S/C14H15FN2O/c15-13-7-3-4-8-14(13)17-10-12(9-16-17)18-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2
InChIKeySHRZJNZVYGPUHN-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.33
Rot. Bonds3

About 4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole

4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole (PubChem CID 117229594) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole
PubChem CID117229594
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole
SMILESFc1ccccc1-n1cc(OC2CCCC2)cn1
InChIInChI=1S/C14H15FN2O/c15-13-7-3-4-8-14(13)17-10-12(9-16-17)18-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2
InChIKeySHRZJNZVYGPUHN-UHFFFAOYSA-N
XLogP3.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole?
The IUPAC name of 4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole (CID 117229594) is 4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole.
What is the SMILES notation for 4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole?
The canonical SMILES for 4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole is Fc1ccccc1-n1cc(OC2CCCC2)cn1.
What is the InChIKey of 4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole?
The InChIKey is SHRZJNZVYGPUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-13-7-3-4-8-14(13)17-10-12(9-16-17)18-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2.
What are the key properties of 4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole?
4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole has a molecular weight of 246.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole is sourced from PubChem (CID 117229594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).