[(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea

C19H20N6S — CID 102236135

IUPAC[(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea
SMILESCc1c(/N=C/c2ccccc2)/c(=N/NC(N)=S)n(-c2ccccc2)n1C
InChIInChI=1S/C19H20N6S/c1-14-17(21-13-15-9-5-3-6-10-15)18(22-23-19(20)26)25(24(14)2)16-11-7-4-8-12-16/h3-13H,1-2H3,(H3,20,23,26)/b21-13+,22-18-
InChIKeyYTRHVDJHIGETTC-PGZWDHPLSA-N
MW364.48 g/mol
LogP2.52
Rot. Bonds4

About [(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea

[(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea (PubChem CID 102236135) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is [(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea
PubChem CID102236135
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name[(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea
SMILESCc1c(/N=C/c2ccccc2)/c(=N/NC(N)=S)n(-c2ccccc2)n1C
InChIInChI=1S/C19H20N6S/c1-14-17(21-13-15-9-5-3-6-10-15)18(22-23-19(20)26)25(24(14)2)16-11-7-4-8-12-16/h3-13H,1-2H3,(H3,20,23,26)/b21-13+,22-18-
InChIKeyYTRHVDJHIGETTC-PGZWDHPLSA-N
XLogP2.52
TPSA72.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea 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

4-[2-[(2E)-2-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 171347750
(2S)-2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]propanoic acid
CID 136798533
1-[(Z)-(4-bromophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
CID 5451516
cobalt(2+);2-[[1,5-dimethyl-2-phenyl-3-(2-sulfidophenyl)iminopyrazol-4-yl]iminomethyl]benzenethiolate
CID 10961957
4-[(3-bromophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1098360
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea
CID 1180673
1,5-dimethyl-4-[(2-methylphenyl)methylideneamino]-2-phenylpyrazol-3-one
CID 4064247
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea
CID 6870089
[(E)-benzylideneamino]thiourea;ethane;ethane;tungsten
CID 172958420
4-[(2-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 710097
4-[(2-bromophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1286562
zinc 5-[[1,5-dimethyl-3-(2-oxidophenyl)imino-2-phenylpyrazol-4-yl]iminomethyl]-2-nitrophenolate
CID 24757096

Frequently Asked Questions

What is the IUPAC name of [(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea?
The IUPAC name of [(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea (CID 102236135) is [(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea?
The canonical SMILES for [(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea is Cc1c(/N=C/c2ccccc2)/c(=N/NC(N)=S)n(-c2ccccc2)n1C.
What is the InChIKey of [(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea?
The InChIKey is YTRHVDJHIGETTC-PGZWDHPLSA-N. The full InChI is InChI=1S/C19H20N6S/c1-14-17(21-13-15-9-5-3-6-10-15)18(22-23-19(20)26)25(24(14)2)16-11-7-4-8-12-16/h3-13H,1-2H3,(H3,20,23,26)/b21-13+,22-18-.
What are the key properties of [(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea?
[(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea has a molecular weight of 364.48 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-ylidene]amino]thiourea is sourced from PubChem (CID 102236135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).