1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole

C20H19FN2O — CID 174444259

IUPAC1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole
SMILESFc1ccc(Oc2ccc(-c3ccn(C4CCCC4)n3)cc2)cc1
InChIInChI=1S/C20H19FN2O/c21-16-7-11-19(12-8-16)24-18-9-5-15(6-10-18)20-13-14-23(22-20)17-3-1-2-4-17/h5-14,17H,1-4H2
InChIKeyISPKNDSUWKANQO-UHFFFAOYSA-N
MW322.38 g/mol
LogP5.60
Rot. Bonds4

About 1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole

1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole (PubChem CID 174444259) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole
PubChem CID174444259
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole
SMILESFc1ccc(Oc2ccc(-c3ccn(C4CCCC4)n3)cc2)cc1
InChIInChI=1S/C20H19FN2O/c21-16-7-11-19(12-8-16)24-18-9-5-15(6-10-18)20-13-14-23(22-20)17-3-1-2-4-17/h5-14,17H,1-4H2
InChIKeyISPKNDSUWKANQO-UHFFFAOYSA-N
XLogP5.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.38
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole?
The IUPAC name of 1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole (CID 174444259) is 1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole?
The canonical SMILES for 1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole is Fc1ccc(Oc2ccc(-c3ccn(C4CCCC4)n3)cc2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole?
The InChIKey is ISPKNDSUWKANQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c21-16-7-11-19(12-8-16)24-18-9-5-15(6-10-18)20-13-14-23(22-20)17-3-1-2-4-17/h5-14,17H,1-4H2.
What are the key properties of 1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole?
1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole has a molecular weight of 322.38 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole is sourced from PubChem (CID 174444259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).