N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline

C23H20N4 — CID 8972029

IUPACN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline
SMILESC(=N\N(c1ccccc1)c1ccccc1)\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H20N4/c1-4-10-20(11-5-1)18-26-19-21(16-24-26)17-25-27(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17,19H,18H2/b25-17-
InChIKeyOYSJHGZSHNDNBS-UQQQWYQISA-N
MW352.44 g/mol
LogP5.10
Rot. Bonds6

About N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline (PubChem CID 8972029) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline
PubChem CID8972029
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline
SMILESC(=N\N(c1ccccc1)c1ccccc1)\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H20N4/c1-4-10-20(11-5-1)18-26-19-21(16-24-26)17-25-27(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17,19H,18H2/b25-17-
InChIKeyOYSJHGZSHNDNBS-UQQQWYQISA-N
XLogP5.10
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol
CID 131238869
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 8971795
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline
CID 8972812
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide
CID 8982077
N'-(1-benzylpyrazol-4-yl)ethanimidamide
CID 131165771
3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135820851
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 8979934
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 8974554
methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate
CID 83765807
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 8979035
4-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 8984191

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline?
The IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline (CID 8972029) is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline?
The canonical SMILES for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline is C(=N\N(c1ccccc1)c1ccccc1)\c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline?
The InChIKey is OYSJHGZSHNDNBS-UQQQWYQISA-N. The full InChI is InChI=1S/C23H20N4/c1-4-10-20(11-5-1)18-26-19-21(16-24-26)17-25-27(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17,19H,18H2/b25-17-.
What are the key properties of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline?
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline has a molecular weight of 352.44 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 8972029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).