(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine

C16H22N4O — CID 95274004

IUPAC(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine
SMILESCc1cc(C)n(C[C@@H]2CN(Cc3cccnc3)CCO2)n1
InChIInChI=1S/C16H22N4O/c1-13-8-14(2)20(18-13)12-16-11-19(6-7-21-16)10-15-4-3-5-17-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3/t16-/m0/s1
InChIKeyHPUITCMNRHVKCG-INIZCTEOSA-N
MW286.38 g/mol
LogP1.80
Rot. Bonds4

About (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine

(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine (PubChem CID 95274004) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine
PubChem CID95274004
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine
SMILESCc1cc(C)n(C[C@@H]2CN(Cc3cccnc3)CCO2)n1
InChIInChI=1S/C16H22N4O/c1-13-8-14(2)20(18-13)12-16-11-19(6-7-21-16)10-15-4-3-5-17-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3/t16-/m0/s1
InChIKeyHPUITCMNRHVKCG-INIZCTEOSA-N
XLogP1.80
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
CID 95274181
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
N-methyl-1-[4-(pyridin-3-ylmethyl)morpholin-2-yl]methanamine
CID 80502656
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine
CID 95274185
(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95276284
(2S)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95276399
N,N-dimethyl-4-[2-[(2S)-4-(pyridin-3-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 125001767
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile
CID 95275062
4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
CID 133443391
1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 95274182
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86895534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine?
The IUPAC name of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine (CID 95274004) is (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine is Cc1cc(C)n(C[C@@H]2CN(Cc3cccnc3)CCO2)n1.
What is the InChIKey of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine?
The InChIKey is HPUITCMNRHVKCG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-8-14(2)20(18-13)12-16-11-19(6-7-21-16)10-15-4-3-5-17-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine?
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine has a molecular weight of 286.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine is sourced from PubChem (CID 95274004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).