N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide

C11H9FIN3O — CID 134202702

IUPACN-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1I
InChIInChI=1S/C11H9FIN3O/c1-6(17)14-11-9(13)10(15-16-11)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyCFHPIGBOLYWBRM-UHFFFAOYSA-N
MW345.12 g/mol
LogP2.78
Rot. Bonds2

About N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide

N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide (PubChem CID 134202702) has the molecular formula C11H9FIN3O and a molecular weight of 345.12 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide
PubChem CID134202702
Molecular FormulaC11H9FIN3O
Molecular Weight345.12 g/mol
Exact Mass344.98
IUPAC NameN-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1I
InChIInChI=1S/C11H9FIN3O/c1-6(17)14-11-9(13)10(15-16-11)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyCFHPIGBOLYWBRM-UHFFFAOYSA-N
XLogP2.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-fluorophenyl)pyrazin-2-yl]acetamide
CID 86081806
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-methoxyacetamide
CID 18674176
2-[4-(dimethylamino)phenyl]-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
CID 18674159
N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide
CID 146012238
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 117076489
1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone
CID 125456636
N-[6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-yl]acetamide
CID 175077902
5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
CID 82445707
1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone
CID 117167849

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide (CID 134202702) is N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1I.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide?
The InChIKey is CFHPIGBOLYWBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FIN3O/c1-6(17)14-11-9(13)10(15-16-11)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide?
N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide has a molecular weight of 345.12 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 134202702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).