(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine

C18H24N4O3 — CID 14301299

IUPAC(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine
SMILESCc1nn(C)c(Oc2ccccc2)c1/C=N/OCCN1CCOCC1
InChIInChI=1S/C18H24N4O3/c1-15-17(14-19-24-13-10-22-8-11-23-12-9-22)18(21(2)20-15)25-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3/b19-14+
InChIKeyCOVUFFYGOBSEGP-XMHGGMMESA-N
MW344.42 g/mol
LogP2.20
Rot. Bonds7

About (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine

(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine (PubChem CID 14301299) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine.

Molecular Properties

Compound Name(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine
PubChem CID14301299
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine
SMILESCc1nn(C)c(Oc2ccccc2)c1/C=N/OCCN1CCOCC1
InChIInChI=1S/C18H24N4O3/c1-15-17(14-19-24-13-10-22-8-11-23-12-9-22)18(21(2)20-15)25-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3/b19-14+
InChIKeyCOVUFFYGOBSEGP-XMHGGMMESA-N
XLogP2.20
TPSA61.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-5-phenoxypyrazole-4-carbonitrile
CID 682833
N-((1,3-Dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylidene)hydroxylamine
CID 682832
4-[2-[1-(4-Methoxyphenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine
CID 11544226
4-[2-(5-Methyl-1-phenylpyrazol-3-yl)oxyethyl]morpholine
CID 71456959
1-(((1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl)(methyl)amino)-3-phenoxypropan-2-ol
CID 53363341
Pyrazole, 1-benzyl-3-methyl-5-(2-(4-methyl-1-piperazinyl)ethoxy)-
CID 203748
(E)-1-[5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine
CID 155549532
Ammonium, (1-benzyl-3-methyl-5-pyrazolyloxyethyl)trimethyl-, iodide
CID 23835
Pyrazole, 1-benzyl-5-(2-(dimethylamino)ethoxy)-3-methyl-
CID 199981
Pyrazole, 1-benzyl-5-(2-(diethylamino)ethoxy)-3-methyl-
CID 199982
Pyrazole, 1-benzyl-5-(2-(dibutylamino)ethoxy)-3-methyl-
CID 199983
Pyrazole, 1-benzyl-5-(2-(dipropylamino)ethoxy)-3-methyl-
CID 202082

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine?
The IUPAC name of (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine (CID 14301299) is (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine.
What is the SMILES notation for (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine?
The canonical SMILES for (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine is Cc1nn(C)c(Oc2ccccc2)c1/C=N/OCCN1CCOCC1.
What is the InChIKey of (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine?
The InChIKey is COVUFFYGOBSEGP-XMHGGMMESA-N. The full InChI is InChI=1S/C18H24N4O3/c1-15-17(14-19-24-13-10-22-8-11-23-12-9-22)18(21(2)20-15)25-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3/b19-14+.
What are the key properties of (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine?
(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine has a molecular weight of 344.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-morpholin-4-ylethoxy)methanimine is sourced from PubChem (CID 14301299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).