(3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine

C18H19N3O — CID 124991958

IUPAC(3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine
SMILESc1ccc2c(CN3CCOC[C@H]3c3ccn[nH]3)cccc2c1
InChIInChI=1S/C18H19N3O/c1-2-7-16-14(4-1)5-3-6-15(16)12-21-10-11-22-13-18(21)17-8-9-19-20-17/h1-9,18H,10-13H2,(H,19,20)/t18-/m0/s1
InChIKeyPMWRQBQMWHVCPG-SFHVURJKSA-N
MW293.37 g/mol
LogP3.14
Rot. Bonds3

About (3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine

(3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine (PubChem CID 124991958) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine
PubChem CID124991958
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine
SMILESc1ccc2c(CN3CCOC[C@H]3c3ccn[nH]3)cccc2c1
InChIInChI=1S/C18H19N3O/c1-2-7-16-14(4-1)5-3-6-15(16)12-21-10-11-22-13-18(21)17-8-9-19-20-17/h1-9,18H,10-13H2,(H,19,20)/t18-/m0/s1
InChIKeyPMWRQBQMWHVCPG-SFHVURJKSA-N
XLogP3.14
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid
CID 110114596
(3R)-4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 124939821
4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 110114587
(3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 124951153
(3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 124996316
(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-(naphthalen-1-ylmethyl)morpholine
CID 124963811
4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 110114728
4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 166316141
1H-indazol-3-yl-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124997703
3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine
CID 110105436
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 124992115
1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 124991678

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine?
The IUPAC name of (3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine (CID 124991958) is (3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for (3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine?
The canonical SMILES for (3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine is c1ccc2c(CN3CCOC[C@H]3c3ccn[nH]3)cccc2c1.
What is the InChIKey of (3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine?
The InChIKey is PMWRQBQMWHVCPG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-7-16-14(4-1)5-3-6-15(16)12-21-10-11-22-13-18(21)17-8-9-19-20-17/h1-9,18H,10-13H2,(H,19,20)/t18-/m0/s1.
What are the key properties of (3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine?
(3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine has a molecular weight of 293.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 124991958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).