N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline

C23H22N4 — CID 7236044

IUPACN-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline
SMILESC1=NN(c2ccccc2)[C@H](C/C(=N/Nc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H22N4/c1-4-10-19(11-5-1)23(26-25-20-12-6-2-7-13-20)18-22-16-17-24-27(22)21-14-8-3-9-15-21/h1-15,17,22,25H,16,18H2/b26-23-/t22-/m0/s1
InChIKeyFHOOQCMDWIVKCV-NFLAHJKKSA-N
MW354.46 g/mol
LogP5.16
Rot. Bonds6

About N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline

N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline (PubChem CID 7236044) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline
PubChem CID7236044
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC NameN-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline
SMILESC1=NN(c2ccccc2)[C@H](C/C(=N/Nc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H22N4/c1-4-10-19(11-5-1)23(26-25-20-12-6-2-7-13-20)18-22-16-17-24-27(22)21-14-8-3-9-15-21/h1-15,17,22,25H,16,18H2/b26-23-/t22-/m0/s1
InChIKeyFHOOQCMDWIVKCV-NFLAHJKKSA-N
XLogP5.16
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
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'}

Analyze N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline?
The IUPAC name of N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline (CID 7236044) is N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline is C1=NN(c2ccccc2)[C@H](C/C(=N/Nc2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline?
The InChIKey is FHOOQCMDWIVKCV-NFLAHJKKSA-N. The full InChI is InChI=1S/C23H22N4/c1-4-10-19(11-5-1)23(26-25-20-12-6-2-7-13-20)18-22-16-17-24-27(22)21-14-8-3-9-15-21/h1-15,17,22,25H,16,18H2/b26-23-/t22-/m0/s1.
What are the key properties of N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline?
N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline has a molecular weight of 354.46 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline is sourced from PubChem (CID 7236044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).