(3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine

C16H21N3O3 — CID 124996316

IUPAC(3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
SMILESCOc1cccc(OC)c1CN1CCOC[C@H]1c1ccn[nH]1
InChIInChI=1S/C16H21N3O3/c1-20-15-4-3-5-16(21-2)12(15)10-19-8-9-22-11-14(19)13-6-7-17-18-13/h3-7,14H,8-11H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyQSBXOIJZFGQHAQ-AWEZNQCLSA-N
MW303.36 g/mol
LogP2.00
Rot. Bonds5

About (3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine

(3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine (PubChem CID 124996316) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
PubChem CID124996316
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
SMILESCOc1cccc(OC)c1CN1CCOC[C@H]1c1ccn[nH]1
InChIInChI=1S/C16H21N3O3/c1-20-15-4-3-5-16(21-2)12(15)10-19-8-9-22-11-14(19)13-6-7-17-18-13/h3-7,14H,8-11H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyQSBXOIJZFGQHAQ-AWEZNQCLSA-N
XLogP2.00
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 124951153
(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-(naphthalen-1-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine
CID 124991958
2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid
CID 110114596
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
4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 126799625
(3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124976007
(6-methoxy-3-pyridinyl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125008509
4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
CID 125026828
4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine
CID 110132368

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The IUPAC name of (3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine (CID 124996316) is (3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for (3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The canonical SMILES for (3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine is COc1cccc(OC)c1CN1CCOC[C@H]1c1ccn[nH]1.
What is the InChIKey of (3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The InChIKey is QSBXOIJZFGQHAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-20-15-4-3-5-16(21-2)12(15)10-19-8-9-22-11-14(19)13-6-7-17-18-13/h3-7,14H,8-11H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
(3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine has a molecular weight of 303.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 124996316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).