(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine

C16H19F2N3O2 — CID 124571996

IUPAC(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
SMILESFC(F)Oc1cccc([C@H]2CN(CCn3cccn3)CCO2)c1
InChIInChI=1S/C16H19F2N3O2/c17-16(18)23-14-4-1-3-13(11-14)15-12-20(9-10-22-15)7-8-21-6-2-5-19-21/h1-6,11,15-16H,7-10,12H2/t15-/m1/s1
InChIKeyDFSRVTDZAKQKPA-OAHLLOKOSA-N
MW323.34 g/mol
LogP2.56
Rot. Bonds6

About (2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine

(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine (PubChem CID 124571996) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is (2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
PubChem CID124571996
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
SMILESFC(F)Oc1cccc([C@H]2CN(CCn3cccn3)CCO2)c1
InChIInChI=1S/C16H19F2N3O2/c17-16(18)23-14-4-1-3-13(11-14)15-12-20(9-10-22-15)7-8-21-6-2-5-19-21/h1-6,11,15-16H,7-10,12H2/t15-/m1/s1
InChIKeyDFSRVTDZAKQKPA-OAHLLOKOSA-N
XLogP2.56
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 124883718
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95545477
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122029359
(2R)-2-(6-methoxynaphthalen-2-yl)-4-(3-pyrazol-1-ylpropyl)morpholine
CID 95403110
2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
CID 120551759
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75391938
2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126769237
2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine
CID 91650407
2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine
CID 156573181
2-(3-phenylmethoxyphenyl)-4-propylmorpholine
CID 15006489
(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine
CID 124736073
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 75391940

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine?
The IUPAC name of (2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine (CID 124571996) is (2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine.
What is the SMILES notation for (2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine?
The canonical SMILES for (2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine is FC(F)Oc1cccc([C@H]2CN(CCn3cccn3)CCO2)c1.
What is the InChIKey of (2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine?
The InChIKey is DFSRVTDZAKQKPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c17-16(18)23-14-4-1-3-13(11-14)15-12-20(9-10-22-15)7-8-21-6-2-5-19-21/h1-6,11,15-16H,7-10,12H2/t15-/m1/s1.
What are the key properties of (2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine?
(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine has a molecular weight of 323.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine is sourced from PubChem (CID 124571996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).