(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine

C20H21N3O2 — CID 14300832

IUPAC(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine
SMILESCc1ccc(CO/N=C/c2c(C)nn(C)c2Oc2ccccc2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-9-11-17(12-10-15)14-24-21-13-19-16(2)22-23(3)20(19)25-18-7-5-4-6-8-18/h4-13H,14H2,1-3H3/b21-13+
InChIKeyGQVOLJTXKXJZIC-FYJGNVAPSA-N
MW335.41 g/mol
LogP4.38
Rot. Bonds6

About (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine

(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine (PubChem CID 14300832) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine
PubChem CID14300832
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine
SMILESCc1ccc(CO/N=C/c2c(C)nn(C)c2Oc2ccccc2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-9-11-17(12-10-15)14-24-21-13-19-16(2)22-23(3)20(19)25-18-7-5-4-6-8-18/h4-13H,14H2,1-3H3/b21-13+
InChIKeyGQVOLJTXKXJZIC-FYJGNVAPSA-N
XLogP4.38
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Fenpyroximate
CID 9576412
Fenpyroximate, (Z)-
CID 6002001
Benzoic acid, 4-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methyleneaminooxymethyl-, 1,1-dimethylethyl ester
CID 107760
N-((1,3-Dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylidene)hydroxylamine
CID 682832
(Z)-Fenpyroximate (free acid)
CID 101126861
CID 139597085
CID 139597085
Fenpyroximate M-20
CID 139597984
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
[5-(4-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methanol
CID 1476560
2-[(3-Methylphenyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814128
1-(((1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl)(methyl)amino)-3-phenoxypropan-2-ol
CID 53363341

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine (CID 14300832) is (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine is Cc1ccc(CO/N=C/c2c(C)nn(C)c2Oc2ccccc2)cc1.
What is the InChIKey of (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine?
The InChIKey is GQVOLJTXKXJZIC-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-9-11-17(12-10-15)14-24-21-13-19-16(2)22-23(3)20(19)25-18-7-5-4-6-8-18/h4-13H,14H2,1-3H3/b21-13+.
What are the key properties of (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine?
(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine has a molecular weight of 335.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine is sourced from PubChem (CID 14300832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).