(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine

C18H24FN3O2 — CID 95274185

IUPAC(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1F
InChIInChI=1S/C18H24FN3O2/c1-13-8-14(2)22(20-13)12-16-11-21(6-7-24-16)10-15-4-5-18(23-3)17(19)9-15/h4-5,8-9,16H,6-7,10-12H2,1-3H3/t16-/m1/s1
InChIKeyVAAFTKSWGXNYMG-MRXNPFEDSA-N
MW333.41 g/mol
LogP2.55
Rot. Bonds5

About (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine

(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine (PubChem CID 95274185) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine
PubChem CID95274185
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1F
InChIInChI=1S/C18H24FN3O2/c1-13-8-14(2)22(20-13)12-16-11-21(6-7-24-16)10-15-4-5-18(23-3)17(19)9-15/h4-5,8-9,16H,6-7,10-12H2,1-3H3/t16-/m1/s1
InChIKeyVAAFTKSWGXNYMG-MRXNPFEDSA-N
XLogP2.55
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine
CID 95274004
3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
CID 95274181
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile
CID 95275062
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
5-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128971167
(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95276284
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine
CID 42861424
(2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine
CID 25385477

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine?
The IUPAC name of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine (CID 95274185) is (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine?
The canonical SMILES for (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine is COc1ccc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1F.
What is the InChIKey of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine?
The InChIKey is VAAFTKSWGXNYMG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-13-8-14(2)22(20-13)12-16-11-21(6-7-24-16)10-15-4-5-18(23-3)17(19)9-15/h4-5,8-9,16H,6-7,10-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine?
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine has a molecular weight of 333.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 95274185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).