(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine

C20H23N3O2 — CID 95545477

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
SMILESCOc1ccc2cc([C@H]3CN(CCn4cccn4)CCO3)ccc2c1
InChIInChI=1S/C20H23N3O2/c1-24-19-6-5-16-13-18(4-3-17(16)14-19)20-15-22(11-12-25-20)9-10-23-8-2-7-21-23/h2-8,13-14,20H,9-12,15H2,1H3/t20-/m1/s1
InChIKeyIRBATUMAUBSQRK-HXUWFJFHSA-N
MW337.42 g/mol
LogP3.12
Rot. Bonds5

About (2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine

(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine (PubChem CID 95545477) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
PubChem CID95545477
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
SMILESCOc1ccc2cc([C@H]3CN(CCn4cccn4)CCO3)ccc2c1
InChIInChI=1S/C20H23N3O2/c1-24-19-6-5-16-13-18(4-3-17(16)14-19)20-15-22(11-12-25-20)9-10-23-8-2-7-21-23/h2-8,13-14,20H,9-12,15H2,1H3/t20-/m1/s1
InChIKeyIRBATUMAUBSQRK-HXUWFJFHSA-N
XLogP3.12
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(6-methoxynaphthalen-2-yl)-4-(3-pyrazol-1-ylpropyl)morpholine
CID 95403110
(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
CID 124571996
2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine
CID 56878637
methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate
CID 56871644
methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
CID 95558883
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56880097
(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553263
(2R)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553262
2-(6-methoxynaphthalen-2-yl)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 56918123
4-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56877898
4-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 56876335
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 96512312

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine (CID 95545477) is (2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine is COc1ccc2cc([C@H]3CN(CCn4cccn4)CCO3)ccc2c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
The InChIKey is IRBATUMAUBSQRK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-24-19-6-5-16-13-18(4-3-17(16)14-19)20-15-22(11-12-25-20)9-10-23-8-2-7-21-23/h2-8,13-14,20H,9-12,15H2,1H3/t20-/m1/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine has a molecular weight of 337.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine is sourced from PubChem (CID 95545477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).