1-cyclopentyl-4-(3-fluorophenoxy)pyrazole

C14H15FN2O — CID 117229427

IUPAC1-cyclopentyl-4-(3-fluorophenoxy)pyrazole
SMILESFc1cccc(Oc2cnn(C3CCCC3)c2)c1
InChIInChI=1S/C14H15FN2O/c15-11-4-3-7-13(8-11)18-14-9-16-17(10-14)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2
InChIKeyXSVVAMXLSQPSSK-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.93
Rot. Bonds3

About 1-cyclopentyl-4-(3-fluorophenoxy)pyrazole

1-cyclopentyl-4-(3-fluorophenoxy)pyrazole (PubChem CID 117229427) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-cyclopentyl-4-(3-fluorophenoxy)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-(3-fluorophenoxy)pyrazole
PubChem CID117229427
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-cyclopentyl-4-(3-fluorophenoxy)pyrazole
SMILESFc1cccc(Oc2cnn(C3CCCC3)c2)c1
InChIInChI=1S/C14H15FN2O/c15-11-4-3-7-13(8-11)18-14-9-16-17(10-14)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2
InChIKeyXSVVAMXLSQPSSK-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(3-fluorophenoxy)pyrazole?
The IUPAC name of 1-cyclopentyl-4-(3-fluorophenoxy)pyrazole (CID 117229427) is 1-cyclopentyl-4-(3-fluorophenoxy)pyrazole.
What is the SMILES notation for 1-cyclopentyl-4-(3-fluorophenoxy)pyrazole?
The canonical SMILES for 1-cyclopentyl-4-(3-fluorophenoxy)pyrazole is Fc1cccc(Oc2cnn(C3CCCC3)c2)c1.
What is the InChIKey of 1-cyclopentyl-4-(3-fluorophenoxy)pyrazole?
The InChIKey is XSVVAMXLSQPSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-11-4-3-7-13(8-11)18-14-9-16-17(10-14)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2.
What are the key properties of 1-cyclopentyl-4-(3-fluorophenoxy)pyrazole?
1-cyclopentyl-4-(3-fluorophenoxy)pyrazole has a molecular weight of 246.28 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(3-fluorophenoxy)pyrazole is sourced from PubChem (CID 117229427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).