5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide

C17H16BrN5OS — CID 6867167

IUPAC5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)cc1
InChIInChI=1S/C17H16BrN5OS/c1-23(2)12-5-3-11(4-6-12)10-19-22-17(24)14-9-13(20-21-14)15-7-8-16(18)25-15/h3-10H,1-2H3,(H,20,21)(H,22,24)/b19-10+
InChIKeyOYGGOIVEDRQQKD-VXLYETTFSA-N
MW418.32 g/mol
LogP3.73
Rot. Bonds5

About 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide

5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6867167) has the molecular formula C17H16BrN5OS and a molecular weight of 418.32 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6867167
Molecular FormulaC17H16BrN5OS
Molecular Weight418.32 g/mol
Exact Mass417.03
IUPAC Name5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)cc1
InChIInChI=1S/C17H16BrN5OS/c1-23(2)12-5-3-11(4-6-12)10-19-22-17(24)14-9-13(20-21-14)15-7-8-16(18)25-15/h3-10H,1-2H3,(H,20,21)(H,22,24)/b19-10+
InChIKeyOYGGOIVEDRQQKD-VXLYETTFSA-N
XLogP3.73
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 53.73
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'}

Analyze 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide 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

3-(5-Bromo-2-thienyl)-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6869559
11-Bromo-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,10-dithia-3,4-diazatricyclo[7.3.0.0,6]dodeca-1(9),2,5,11-tetraene (7c)
CID 78427626
N-(4-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-2-thiophenecarboxamide
CID 23097164
N'-[(1E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-thien-2-yl-1H-pyrazole-5-carbohydrazide
CID 6862122
3-(5-methylthiophen-2-yl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide
CID 6864525
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6866405
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6867567
N'-[(E)-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene]-3-(5-methyl-2-thienyl)-1H-pyrazole-5-carbohydrazide
CID 6869533
5-(5-Bromo-thiophen-2-yl)-2H-pyrazole-3-carboxylic acid (3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene)-hydrazide
CID 9594620
3-(5-bromothiophen-2-yl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 6969476
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 3153689
3-(5-Bromo-2-thienyl)-N'-(4-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6862711

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide (CID 6867167) is 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide is CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)cc1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is OYGGOIVEDRQQKD-VXLYETTFSA-N. The full InChI is InChI=1S/C17H16BrN5OS/c1-23(2)12-5-3-11(4-6-12)10-19-22-17(24)14-9-13(20-21-14)15-7-8-16(18)25-15/h3-10H,1-2H3,(H,20,21)(H,22,24)/b19-10+.
What are the key properties of 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 418.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6867167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).