N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide

C13H14IN3O — CID 19476120

IUPACN-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(I)cnn2C)c1
InChIInChI=1S/C13H14IN3O/c1-8-4-5-9(2)11(6-8)16-13(18)12-10(14)7-15-17(12)3/h4-7H,1-3H3,(H,16,18)
InChIKeyKBQWNUKXYNHRJN-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.89
Rot. Bonds2

About N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide

N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide (PubChem CID 19476120) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide
PubChem CID19476120
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC NameN-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(I)cnn2C)c1
InChIInChI=1S/C13H14IN3O/c1-8-4-5-9(2)11(6-8)16-13(18)12-10(14)7-15-17(12)3/h4-7H,1-3H3,(H,16,18)
InChIKeyKBQWNUKXYNHRJN-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 25248036
4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65356207
N-tert-butyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 19577504
4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide
CID 1301795
4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096938
4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441
4-iodo-1-methyl-N-[(4-methylphenyl)methoxy]pyrazole-5-carboxamide
CID 4774257
4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355912
4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396369
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476253
N-(2,5-dimethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110857331

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide (CID 19476120) is N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide is Cc1ccc(C)c(NC(=O)c2c(I)cnn2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide?
The InChIKey is KBQWNUKXYNHRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-8-4-5-9(2)11(6-8)16-13(18)12-10(14)7-15-17(12)3/h4-7H,1-3H3,(H,16,18).
What are the key properties of N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide?
N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide has a molecular weight of 355.18 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19476120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).