4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide

C9H10IN5O — CID 19262071

IUPAC4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
SMILESCn1ccc(NC(=O)c2nn(C)cc2I)n1
InChIInChI=1S/C9H10IN5O/c1-14-4-3-7(12-14)11-9(16)8-6(10)5-15(2)13-8/h3-5H,1-2H3,(H,11,12,16)
InChIKeyZLZXSSMQFDYBGC-UHFFFAOYSA-N
MW331.12 g/mol
LogP1.01
Rot. Bonds2

About 4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide

4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide (PubChem CID 19262071) has the molecular formula C9H10IN5O and a molecular weight of 331.12 g/mol. Its IUPAC name is 4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
PubChem CID19262071
Molecular FormulaC9H10IN5O
Molecular Weight331.12 g/mol
Exact Mass330.99
IUPAC Name4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
SMILESCn1ccc(NC(=O)c2nn(C)cc2I)n1
InChIInChI=1S/C9H10IN5O/c1-14-4-3-7(12-14)11-9(16)8-6(10)5-15(2)13-8/h3-5H,1-2H3,(H,11,12,16)
InChIKeyZLZXSSMQFDYBGC-UHFFFAOYSA-N
XLogP1.01
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264112
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955
3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide
CID 104627523
N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262123
N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301131
N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301133
N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261955
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
4-(3-fluoroanilino)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 42640923
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261907
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 4617866

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide (CID 19262071) is 4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide is Cn1ccc(NC(=O)c2nn(C)cc2I)n1.
What is the InChIKey of 4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is ZLZXSSMQFDYBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN5O/c1-14-4-3-7(12-14)11-9(16)8-6(10)5-15(2)13-8/h3-5H,1-2H3,(H,11,12,16).
What are the key properties of 4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide?
4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 331.12 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 19262071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).