1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine

C28H23N5O — CID 165134114

IUPAC1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine
SMILESc1ccc(C(=Nc2cc(OCc3ccc(Cn4cccn4)cc3)cnn2)c2ccccc2)cc1
InChIInChI=1S/C28H23N5O/c1-3-8-24(9-4-1)28(25-10-5-2-6-11-25)31-27-18-26(19-29-32-27)34-21-23-14-12-22(13-15-23)20-33-17-7-16-30-33/h1-19H,20-21H2
InChIKeyTWKACSZNBNITDO-UHFFFAOYSA-N
MW445.53 g/mol
LogP5.47
Rot. Bonds8

About 1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine

1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine (PubChem CID 165134114) has the molecular formula C28H23N5O and a molecular weight of 445.53 g/mol. Its IUPAC name is 1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine
PubChem CID165134114
Molecular FormulaC28H23N5O
Molecular Weight445.53 g/mol
Exact Mass445.19
IUPAC Name1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine
SMILESc1ccc(C(=Nc2cc(OCc3ccc(Cn4cccn4)cc3)cnn2)c2ccccc2)cc1
InChIInChI=1S/C28H23N5O/c1-3-8-24(9-4-1)28(25-10-5-2-6-11-25)31-27-18-26(19-29-32-27)34-21-23-14-12-22(13-15-23)20-33-17-7-16-30-33/h1-19H,20-21H2
InChIKeyTWKACSZNBNITDO-UHFFFAOYSA-N
XLogP5.47
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine
CID 172773915
3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine
CID 171090290
2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 171059012
2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine
CID 171090125
pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate
CID 46562089
N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24708552
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
1-phenoxy-3-[2-[(E)-prop-1-enyl]-5-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
CID 141063849
N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 17437529
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
(2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide
CID 94562119

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine?
The IUPAC name of 1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine (CID 165134114) is 1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine.
What is the SMILES notation for 1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine?
The canonical SMILES for 1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine is c1ccc(C(=Nc2cc(OCc3ccc(Cn4cccn4)cc3)cnn2)c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine?
The InChIKey is TWKACSZNBNITDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O/c1-3-8-24(9-4-1)28(25-10-5-2-6-11-25)31-27-18-26(19-29-32-27)34-21-23-14-12-22(13-15-23)20-33-17-7-16-30-33/h1-19H,20-21H2.
What are the key properties of 1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine?
1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine has a molecular weight of 445.53 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine is sourced from PubChem (CID 165134114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).