N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline

C22H19N5 — CID 9023555

IUPACN-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
SMILESCN(/N=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1
InChIInChI=1S/C22H19N5/c1-26(20-8-4-2-5-9-20)24-16-19-17-27(21-10-6-3-7-11-21)25-22(19)18-12-14-23-15-13-18/h2-17H,1H3/b24-16-
InChIKeyITJLXZQIUXWMAB-JLPGSUDCSA-N
MW353.43 g/mol
LogP4.40
Rot. Bonds5

About N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline

N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline (PubChem CID 9023555) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
PubChem CID9023555
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
SMILESCN(/N=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1
InChIInChI=1S/C22H19N5/c1-26(20-8-4-2-5-9-20)24-16-19-17-27(21-10-6-3-7-11-21)25-22(19)18-12-14-23-15-13-18/h2-17H,1H3/b24-16-
InChIKeyITJLXZQIUXWMAB-JLPGSUDCSA-N
XLogP4.40
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.40
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'}

Analyze N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 4605585
2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 75362969
4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 8971405
2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]propanedinitrile
CID 904285
(3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one
CID 8978857
4-bromo-2,6-dichloro-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 71844798
1-butyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]thiourea
CID 8978837
4-(4-bromo-1-phenylpyrazol-3-yl)pyridine
CID 67295632
(E)-1-(1,3-diphenylpyrazol-4-yl)-N-pyridin-2-ylmethanimine
CID 21236357
(E)-2-cyano-N-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 78814569
1-[(2S)-1-methoxypropan-2-yl]-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]thiourea
CID 8979878
(E)-1-(4-methylphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-en-1-one
CID 18228455

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline?
The IUPAC name of N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline (CID 9023555) is N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline.
What is the SMILES notation for N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline?
The canonical SMILES for N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline is CN(/N=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline?
The InChIKey is ITJLXZQIUXWMAB-JLPGSUDCSA-N. The full InChI is InChI=1S/C22H19N5/c1-26(20-8-4-2-5-9-20)24-16-19-17-27(21-10-6-3-7-11-21)25-22(19)18-12-14-23-15-13-18/h2-17H,1H3/b24-16-.
What are the key properties of N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline?
N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline has a molecular weight of 353.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline is sourced from PubChem (CID 9023555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).