4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine

C16H19F2N3O2 — CID 67991968

IUPAC4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine
SMILESFc1ccc(C(OCCN2CCOCC2)c2ccn[nH]2)cc1F
InChIInChI=1S/C16H19F2N3O2/c17-13-2-1-12(11-14(13)18)16(15-3-4-19-20-15)23-10-7-21-5-8-22-9-6-21/h1-4,11,16H,5-10H2,(H,19,20)
InChIKeyZFBKUWDEWJJAJB-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.13
Rot. Bonds6

About 4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine

4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine (PubChem CID 67991968) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine
PubChem CID67991968
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine
SMILESFc1ccc(C(OCCN2CCOCC2)c2ccn[nH]2)cc1F
InChIInChI=1S/C16H19F2N3O2/c17-13-2-1-12(11-14(13)18)16(15-3-4-19-20-15)23-10-7-21-5-8-22-9-6-21/h1-4,11,16H,5-10H2,(H,19,20)
InChIKeyZFBKUWDEWJJAJB-UHFFFAOYSA-N
XLogP2.13
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,5R)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 73346174
Desmethylsulfonyl-Omarigliptin
CID 24769723
(2R,3S,5S)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)oxan-3-amine
CID 68845950
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-methyloxan-3-amine
CID 73051661
(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine
CID 144979077
(2R,3S,5R)-2-(2,4-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)oxan-3-amine
CID 73350799
(2S,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)oxan-3-amine
CID 72193504
ethyl 4-[[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]-1H-pyrazole-5-carboxylate
CID 45225589
1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 51104386
1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 51104526
1-(3-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 51104527
2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 51104529

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine (CID 67991968) is 4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine is Fc1ccc(C(OCCN2CCOCC2)c2ccn[nH]2)cc1F.
What is the InChIKey of 4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine?
The InChIKey is ZFBKUWDEWJJAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c17-13-2-1-12(11-14(13)18)16(15-3-4-19-20-15)23-10-7-21-5-8-22-9-6-21/h1-4,11,16H,5-10H2,(H,19,20).
What are the key properties of 4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine?
4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine has a molecular weight of 323.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine is sourced from PubChem (CID 67991968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).