5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole

C15H18FN3O — CID 110263712

IUPAC5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole
SMILESFc1ccccc1OCCc1cc(C2CCNC2)n[nH]1
InChIInChI=1S/C15H18FN3O/c16-13-3-1-2-4-15(13)20-8-6-12-9-14(19-18-12)11-5-7-17-10-11/h1-4,9,11,17H,5-8,10H2,(H,18,19)
InChIKeyHJLRSTNAMRKZQT-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.25
Rot. Bonds5

About 5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole

5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole (PubChem CID 110263712) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole
PubChem CID110263712
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole
SMILESFc1ccccc1OCCc1cc(C2CCNC2)n[nH]1
InChIInChI=1S/C15H18FN3O/c16-13-3-1-2-4-15(13)20-8-6-12-9-14(19-18-12)11-5-7-17-10-11/h1-4,9,11,17H,5-8,10H2,(H,18,19)
InChIKeyHJLRSTNAMRKZQT-UHFFFAOYSA-N
XLogP2.25
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole?
The IUPAC name of 5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole (CID 110263712) is 5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole.
What is the SMILES notation for 5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole?
The canonical SMILES for 5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole is Fc1ccccc1OCCc1cc(C2CCNC2)n[nH]1.
What is the InChIKey of 5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole?
The InChIKey is HJLRSTNAMRKZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-3-1-2-4-15(13)20-8-6-12-9-14(19-18-12)11-5-7-17-10-11/h1-4,9,11,17H,5-8,10H2,(H,18,19).
What are the key properties of 5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole?
5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole has a molecular weight of 275.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole is sourced from PubChem (CID 110263712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).