(2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine

C21H25N3O — CID 30852816

IUPAC(2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine
SMILESc1ccc2c(C[C@H]3CN(CCCn4cccn4)CCO3)cccc2c1
InChIInChI=1S/C21H25N3O/c1-2-9-21-18(6-1)7-3-8-19(21)16-20-17-23(14-15-25-20)11-5-13-24-12-4-10-22-24/h1-4,6-10,12,20H,5,11,13-17H2/t20-/m0/s1
InChIKeyQGFXPEDMDNVCIB-FQEVSTJZSA-N
MW335.45 g/mol
LogP3.37
Rot. Bonds6

About (2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine

(2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine (PubChem CID 30852816) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine
PubChem CID30852816
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine
SMILESc1ccc2c(C[C@H]3CN(CCCn4cccn4)CCO3)cccc2c1
InChIInChI=1S/C21H25N3O/c1-2-9-21-18(6-1)7-3-8-19(21)16-20-17-23(14-15-25-20)11-5-13-24-12-4-10-22-24/h1-4,6-10,12,20H,5,11,13-17H2/t20-/m0/s1
InChIKeyQGFXPEDMDNVCIB-FQEVSTJZSA-N
XLogP3.37
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methyl-2-pyridinyl)methyl]-2-(naphthalen-1-ylmethyl)morpholine
CID 56877258
(2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95295560
(2R)-2-(6-methoxynaphthalen-2-yl)-4-(3-pyrazol-1-ylpropyl)morpholine
CID 95403110
6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95549014
2-benzyl-4-dodecylmorpholine
CID 70634633
2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol
CID 125000372
(2R)-4-[(2,3-difluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)-1,4-oxazepane
CID 99933659
4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
CID 67073026
(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 98172915
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834526
3-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]oxadiazol-3-ium-5-olate
CID 45167868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine?
The IUPAC name of (2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine (CID 30852816) is (2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine.
What is the SMILES notation for (2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine?
The canonical SMILES for (2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine is c1ccc2c(C[C@H]3CN(CCCn4cccn4)CCO3)cccc2c1.
What is the InChIKey of (2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine?
The InChIKey is QGFXPEDMDNVCIB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-9-21-18(6-1)7-3-8-19(21)16-20-17-23(14-15-25-20)11-5-13-24-12-4-10-22-24/h1-4,6-10,12,20H,5,11,13-17H2/t20-/m0/s1.
What are the key properties of (2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine?
(2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine has a molecular weight of 335.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine is sourced from PubChem (CID 30852816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).