(2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

C13H19N5O — CID 95279265

IUPAC(2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCn1ccnc1CN1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C13H19N5O/c1-16-6-4-14-13(16)11-17-7-8-19-12(9-17)10-18-5-2-3-15-18/h2-6,12H,7-11H2,1H3/t12-/m0/s1
InChIKeyBEJNQCWQWBRBNT-LBPRGKRZSA-N
MW261.33 g/mol
LogP0.52
Rot. Bonds4

About (2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

(2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95279265) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is (2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95279265
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name(2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCn1ccnc1CN1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C13H19N5O/c1-16-6-4-14-13(16)11-17-7-8-19-12(9-17)10-18-5-2-3-15-18/h2-6,12H,7-11H2,1H3/t12-/m0/s1
InChIKeyBEJNQCWQWBRBNT-LBPRGKRZSA-N
XLogP0.52
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-Methylimidazol-2-yl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53553093
4-[(1-Ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53557687
2-(Pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine
CID 53559180
4-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559205
1-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 53561114
4-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53561788
4-[(1-Methylimidazol-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53565596
2-[(4-Methylpyrazol-1-yl)methyl]-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine
CID 53565844
4-(2-Pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 53626022
1-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 56780345
2-methoxy-5-{1-[1-methyl-3-(1H-pyrazol-1-yl)propyl]-1H-imidazol-2-yl}pyrimidine
CID 56863217
2-(methoxymethyl)-5-{1-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-imidazol-2-yl}pyrimidine
CID 70749056

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95279265) is (2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is Cn1ccnc1CN1CCO[C@H](Cn2cccn2)C1.
What is the InChIKey of (2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is BEJNQCWQWBRBNT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N5O/c1-16-6-4-14-13(16)11-17-7-8-19-12(9-17)10-18-5-2-3-15-18/h2-6,12H,7-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 261.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95279265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).