5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide

C11H12N4OS — CID 5402503

IUPAC5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C)[nH]n1)c1cccs1
InChIInChI=1S/C11H12N4OS/c1-7-6-9(14-12-7)11(16)15-13-8(2)10-4-3-5-17-10/h3-6H,1-2H3,(H,12,14)(H,15,16)/b13-8+
InChIKeyHWUGSOASARVEJH-MDWZMJQESA-N
MW248.31 g/mol
LogP1.93
Rot. Bonds3

About 5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide

5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5402503) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5402503
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C)[nH]n1)c1cccs1
InChIInChI=1S/C11H12N4OS/c1-7-6-9(14-12-7)11(16)15-13-8(2)10-4-3-5-17-10/h3-6H,1-2H3,(H,12,14)(H,15,16)/b13-8+
InChIKeyHWUGSOASARVEJH-MDWZMJQESA-N
XLogP1.93
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
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

3-(5-Chloro-2-thienyl)-N'-(2-thienylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9556891
5-(2,5-Dimethyl-3-Thienyl)-1h-Pyrazole-3-Carboxamide
CID 78673871
3-tert-butyl-N'-[(3-methyl-2-thienyl)methylene]-1H-pyrazole-5-carbohydrazide
CID 5345393
5-tert-butyl-N-[(5-nitro-2-thienyl)methyleneamino]-1H-pyrazole-3-carboxamide
CID 6883299
3-methyl-N'-[(E)-thiophen-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6866198
N-[(E)-1-thiophen-2-ylethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 5392060
N'-[(3-methyl-2-thienyl)methylene]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 5400057
5-cyclopropyl-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
CID 5421124
N'-(2-thienylmethylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 5720643
5-propan-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5782679
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide (CID 5402503) is 5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(C)[nH]n1)c1cccs1.
What is the InChIKey of 5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is HWUGSOASARVEJH-MDWZMJQESA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-6-9(14-12-7)11(16)15-13-8(2)10-4-3-5-17-10/h3-6H,1-2H3,(H,12,14)(H,15,16)/b13-8+.
What are the key properties of 5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5402503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).