N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide

C12H14IN3OS — CID 113233452

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2csc(I)c2)n[nH]1
InChIInChI=1S/C12H14IN3OS/c1-12(2,3)8-5-10(16-15-8)14-11(17)7-4-9(13)18-6-7/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyZBDLASGTSBSKHH-UHFFFAOYSA-N
MW375.24 g/mol
LogP3.63
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide (PubChem CID 113233452) has the molecular formula C12H14IN3OS and a molecular weight of 375.24 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide
PubChem CID113233452
Molecular FormulaC12H14IN3OS
Molecular Weight375.24 g/mol
Exact Mass374.99
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2csc(I)c2)n[nH]1
InChIInChI=1S/C12H14IN3OS/c1-12(2,3)8-5-10(16-15-8)14-11(17)7-4-9(13)18-6-7/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyZBDLASGTSBSKHH-UHFFFAOYSA-N
XLogP3.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[(5-iodothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 79685939
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
CID 104620011
N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 47343702
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
CID 115694776
N-(5-tert-butyl-1H-pyrazol-3-yl)-9-oxofluorene-2-carboxamide
CID 55977209
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide
CID 55976047
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
CID 104619953
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618611
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodobenzamide
CID 103995808
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 115589899
4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
CID 104618642

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide (CID 113233452) is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide is CC(C)(C)c1cc(NC(=O)c2csc(I)c2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is ZBDLASGTSBSKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3OS/c1-12(2,3)8-5-10(16-15-8)14-11(17)7-4-9(13)18-6-7/h4-6H,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 375.24 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 113233452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).