5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide

C10H9IN4O — CID 43159637

IUPAC5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C10H9IN4O/c11-6-1-3-7(4-2-6)14-10(16)8-5-13-15-9(8)12/h1-5H,(H,14,16)(H3,12,13,15)
InChIKeyLECVMBFBBUFSTQ-UHFFFAOYSA-N
MW328.11 g/mol
LogP1.85
Rot. Bonds2

About 5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide

5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43159637) has the molecular formula C10H9IN4O and a molecular weight of 328.11 g/mol. Its IUPAC name is 5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide
PubChem CID43159637
Molecular FormulaC10H9IN4O
Molecular Weight328.11 g/mol
Exact Mass327.98
IUPAC Name5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C10H9IN4O/c11-6-1-3-7(4-2-6)14-10(16)8-5-13-15-9(8)12/h1-5H,(H,14,16)(H3,12,13,15)
InChIKeyLECVMBFBBUFSTQ-UHFFFAOYSA-N
XLogP1.85
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide
CID 43337152
5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43337237
5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 114840514
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 43337194
5-amino-N-(2,4-dibromophenyl)-1H-pyrazole-4-carboxamide
CID 61475532
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110484171
5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 106760594
5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 82766729
4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
CID 43643239
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide (CID 43159637) is 5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is LECVMBFBBUFSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN4O/c11-6-1-3-7(4-2-6)14-10(16)8-5-13-15-9(8)12/h1-5H,(H,14,16)(H3,12,13,15).
What are the key properties of 5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 328.11 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43159637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).