4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine

C19H25FN4O2 — CID 66897527

IUPAC4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine
SMILESFc1cc(OCCN2CCOCC2)cc(C2CCCN2c2ccn[nH]2)c1
InChIInChI=1S/C19H25FN4O2/c20-16-12-15(18-2-1-5-24(18)19-3-4-21-22-19)13-17(14-16)26-11-8-23-6-9-25-10-7-23/h3-4,12-14,18H,1-2,5-11H2,(H,21,22)
InChIKeyFWCXMJFWRFEVIY-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.60
Rot. Bonds6

About 4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine

4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine (PubChem CID 66897527) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine
PubChem CID66897527
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine
SMILESFc1cc(OCCN2CCOCC2)cc(C2CCCN2c2ccn[nH]2)c1
InChIInChI=1S/C19H25FN4O2/c20-16-12-15(18-2-1-5-24(18)19-3-4-21-22-19)13-17(14-16)26-11-8-23-6-9-25-10-7-23/h3-4,12-14,18H,1-2,5-11H2,(H,21,22)
InChIKeyFWCXMJFWRFEVIY-UHFFFAOYSA-N
XLogP2.60
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine (CID 66897527) is 4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine is Fc1cc(OCCN2CCOCC2)cc(C2CCCN2c2ccn[nH]2)c1.
What is the InChIKey of 4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine?
The InChIKey is FWCXMJFWRFEVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c20-16-12-15(18-2-1-5-24(18)19-3-4-21-22-19)13-17(14-16)26-11-8-23-6-9-25-10-7-23/h3-4,12-14,18H,1-2,5-11H2,(H,21,22).
What are the key properties of 4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine?
4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine has a molecular weight of 360.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-fluoro-5-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 66897527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).