4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide

C10H8FIN4O — CID 79768952

IUPAC4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C10H8FIN4O/c11-5-1-2-8(6(12)3-5)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyKIKJZUGDFPJRSD-UHFFFAOYSA-N
MW346.10 g/mol
LogP1.99
Rot. Bonds2

About 4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide

4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 79768952) has the molecular formula C10H8FIN4O and a molecular weight of 346.10 g/mol. Its IUPAC name is 4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide
PubChem CID79768952
Molecular FormulaC10H8FIN4O
Molecular Weight346.10 g/mol
Exact Mass345.97
IUPAC Name4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C10H8FIN4O/c11-5-1-2-8(6(12)3-5)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyKIKJZUGDFPJRSD-UHFFFAOYSA-N
XLogP1.99
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 51.99
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

4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 81316083
4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 63107429
4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 55178983
4-amino-N-(4-fluoro-2-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81245036
2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768786
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 55177446
3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768442
N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103737179
4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79769352

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide (CID 79768952) is 4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KIKJZUGDFPJRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIN4O/c11-5-1-2-8(6(12)3-5)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 346.10 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 79768952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).