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

C14H21N5O — CID 95277652

IUPAC(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCCn1ccnc1CN1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C14H21N5O/c1-2-18-7-5-15-14(18)12-17-8-9-20-13(10-17)11-19-6-3-4-16-19/h3-7,13H,2,8-12H2,1H3/t13-/m0/s1
InChIKeyFMGUYRLSJVKPCJ-ZDUSSCGKSA-N
MW275.36 g/mol
LogP1.00
Rot. Bonds5

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

(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95277652) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95277652
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCCn1ccnc1CN1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C14H21N5O/c1-2-18-7-5-15-14(18)12-17-8-9-20-13(10-17)11-19-6-3-4-16-19/h3-7,13H,2,8-12H2,1H3/t13-/m0/s1
InChIKeyFMGUYRLSJVKPCJ-ZDUSSCGKSA-N
XLogP1.00
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.00
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-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95277652) is (2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is CCn1ccnc1CN1CCO[C@H](Cn2cccn2)C1.
What is the InChIKey of (2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is FMGUYRLSJVKPCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-18-7-5-15-14(18)12-17-8-9-20-13(10-17)11-19-6-3-4-16-19/h3-7,13H,2,8-12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 275.36 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95277652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).