4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole

C13H14FN3O — CID 115055438

IUPAC4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole
SMILESFc1cccc(Oc2cnn(C3CCNC3)c2)c1
InChIInChI=1S/C13H14FN3O/c14-10-2-1-3-12(6-10)18-13-8-16-17(9-13)11-4-5-15-7-11/h1-3,6,8-9,11,15H,4-5,7H2
InChIKeyXYOHGPKEMLJBQM-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.35
Rot. Bonds3

About 4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole

4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole (PubChem CID 115055438) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole
PubChem CID115055438
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole
SMILESFc1cccc(Oc2cnn(C3CCNC3)c2)c1
InChIInChI=1S/C13H14FN3O/c14-10-2-1-3-12(6-10)18-13-8-16-17(9-13)11-4-5-15-7-11/h1-3,6,8-9,11,15H,4-5,7H2
InChIKeyXYOHGPKEMLJBQM-UHFFFAOYSA-N
XLogP2.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole?
The IUPAC name of 4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole (CID 115055438) is 4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole is Fc1cccc(Oc2cnn(C3CCNC3)c2)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole?
The InChIKey is XYOHGPKEMLJBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-2-1-3-12(6-10)18-13-8-16-17(9-13)11-4-5-15-7-11/h1-3,6,8-9,11,15H,4-5,7H2.
What are the key properties of 4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole?
4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole has a molecular weight of 247.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-1-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 115055438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).