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

C15H18FN3O2 — CID 124951153

IUPAC(3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
SMILESCOc1cccc(CN2CCOC[C@H]2c2ccn[nH]2)c1F
InChIInChI=1S/C15H18FN3O2/c1-20-14-4-2-3-11(15(14)16)9-19-7-8-21-10-13(19)12-5-6-17-18-12/h2-6,13H,7-10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyDGCQOKDBQNWCCX-ZDUSSCGKSA-N
MW291.33 g/mol
LogP2.13
Rot. Bonds4

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

(3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine (PubChem CID 124951153) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is (3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
PubChem CID124951153
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name(3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
SMILESCOc1cccc(CN2CCOC[C@H]2c2ccn[nH]2)c1F
InChIInChI=1S/C15H18FN3O2/c1-20-14-4-2-3-11(15(14)16)9-19-7-8-21-10-13(19)12-5-6-17-18-12/h2-6,13H,7-10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyDGCQOKDBQNWCCX-ZDUSSCGKSA-N
XLogP2.13
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 124996316
(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
(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
1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 104792418
4-[(4-chloro-3-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 110114728
(3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124976007
(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 124625332
4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 166316141
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The IUPAC name of (3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine (CID 124951153) is (3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for (3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The canonical SMILES for (3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine is COc1cccc(CN2CCOC[C@H]2c2ccn[nH]2)c1F.
What is the InChIKey of (3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The InChIKey is DGCQOKDBQNWCCX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-20-14-4-2-3-11(15(14)16)9-19-7-8-21-10-13(19)12-5-6-17-18-12/h2-6,13H,7-10H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
(3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine has a molecular weight of 291.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 124951153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).