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

C15H23N5O — CID 95274014

IUPAC(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
SMILESCc1cc(C)n(C[C@@H]2CN(Cc3nccn3C)CCO2)n1
InChIInChI=1S/C15H23N5O/c1-12-8-13(2)20(17-12)10-14-9-19(6-7-21-14)11-15-16-4-5-18(15)3/h4-5,8,14H,6-7,9-11H2,1-3H3/t14-/m0/s1
InChIKeyGPAZAAYJGPTCTD-AWEZNQCLSA-N
MW289.38 g/mol
LogP1.13
Rot. Bonds4

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

(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine (PubChem CID 95274014) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
PubChem CID95274014
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
SMILESCc1cc(C)n(C[C@@H]2CN(Cc3nccn3C)CCO2)n1
InChIInChI=1S/C15H23N5O/c1-12-8-13(2)20(17-12)10-14-9-19(6-7-21-14)11-15-16-4-5-18(15)3/h4-5,8,14H,6-7,9-11H2,1-3H3/t14-/m0/s1
InChIKeyGPAZAAYJGPTCTD-AWEZNQCLSA-N
XLogP1.13
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 71878566
4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 75369872
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine
CID 95274004
(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95276284
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496
(2S)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95276399
3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole
CID 86775120
1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 95274182
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine
CID 95274185
(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 42511055
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile
CID 95275062
3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
CID 95274181

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine (CID 95274014) is (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine is Cc1cc(C)n(C[C@@H]2CN(Cc3nccn3C)CCO2)n1.
What is the InChIKey of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The InChIKey is GPAZAAYJGPTCTD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N5O/c1-12-8-13(2)20(17-12)10-14-9-19(6-7-21-14)11-15-16-4-5-18(15)3/h4-5,8,14H,6-7,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine?
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine has a molecular weight of 289.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 95274014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).