4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine

C14H15ClFN3O — CID 110114728

IUPAC4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
SMILESFc1cc(CN2CCOCC2c2ccn[nH]2)ccc1Cl
InChIInChI=1S/C14H15ClFN3O/c15-11-2-1-10(7-12(11)16)8-19-5-6-20-9-14(19)13-3-4-17-18-13/h1-4,7,14H,5-6,8-9H2,(H,17,18)
InChIKeyFFWLPFLOCVBXSM-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.78
Rot. Bonds3

About 4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine

4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine (PubChem CID 110114728) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
PubChem CID110114728
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
SMILESFc1cc(CN2CCOCC2c2ccn[nH]2)ccc1Cl
InChIInChI=1S/C14H15ClFN3O/c15-11-2-1-10(7-12(11)16)8-19-5-6-20-9-14(19)13-3-4-17-18-13/h1-4,7,14H,5-6,8-9H2,(H,17,18)
InChIKeyFFWLPFLOCVBXSM-UHFFFAOYSA-N
XLogP2.78
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The IUPAC name of 4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine (CID 110114728) is 4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The canonical SMILES for 4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine is Fc1cc(CN2CCOCC2c2ccn[nH]2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The InChIKey is FFWLPFLOCVBXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c15-11-2-1-10(7-12(11)16)8-19-5-6-20-9-14(19)13-3-4-17-18-13/h1-4,7,14H,5-6,8-9H2,(H,17,18).
What are the key properties of 4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine has a molecular weight of 295.75 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 110114728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).