4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide

C10H14IN3O — CID 167783297

IUPAC4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide
SMILESCC(C)=CCNC(=O)c1nn(C)cc1I
InChIInChI=1S/C10H14IN3O/c1-7(2)4-5-12-10(15)9-8(11)6-14(3)13-9/h4,6H,5H2,1-3H3,(H,12,15)
InChIKeyDREYAOCAXDJABQ-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.72
Rot. Bonds3

About 4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide

4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide (PubChem CID 167783297) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide
PubChem CID167783297
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide
SMILESCC(C)=CCNC(=O)c1nn(C)cc1I
InChIInChI=1S/C10H14IN3O/c1-7(2)4-5-12-10(15)9-8(11)6-14(3)13-9/h4,6H,5H2,1-3H3,(H,12,15)
InChIKeyDREYAOCAXDJABQ-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262123
N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261948
4-iodo-1-methyl-N'-(3-phenylprop-1-enyl)pyrazole-3-carbohydrazide
CID 7008767
4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19262071
4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide
CID 131241275
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262015
N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 6341767
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 135411998
N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301131
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262144
N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261955
N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301133

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide?
The IUPAC name of 4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide (CID 167783297) is 4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide is CC(C)=CCNC(=O)c1nn(C)cc1I.
What is the InChIKey of 4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide?
The InChIKey is DREYAOCAXDJABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-7(2)4-5-12-10(15)9-8(11)6-14(3)13-9/h4,6H,5H2,1-3H3,(H,12,15).
What are the key properties of 4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide?
4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide has a molecular weight of 319.15 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-N-(3-methylbut-2-enyl)pyrazole-3-carboxamide is sourced from PubChem (CID 167783297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).