N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide

C11H10IN3O — CID 118797992

IUPACN-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(-c2ccccc2)c1I
InChIInChI=1S/C11H10IN3O/c1-7(16)13-11-9(12)10(14-15-11)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyYYQGPSPCXPRUEJ-UHFFFAOYSA-N
MW327.13 g/mol
LogP2.64
Rot. Bonds2

About N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide

N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide (PubChem CID 118797992) has the molecular formula C11H10IN3O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide
PubChem CID118797992
Molecular FormulaC11H10IN3O
Molecular Weight327.13 g/mol
Exact Mass326.99
IUPAC NameN-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(-c2ccccc2)c1I
InChIInChI=1S/C11H10IN3O/c1-7(16)13-11-9(12)10(14-15-11)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyYYQGPSPCXPRUEJ-UHFFFAOYSA-N
XLogP2.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.64
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-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide
CID 5330946
N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]acetamide
CID 794164
Benzamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 4247366
2-Mercaptoacetamide, 12d
CID 25263437
2-Mercaptoacetamide, 12f
CID 25263441
4-(Trifluoromethyl)-3-[3-(Trifluoromethyl)phenyl]-1,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135566520

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide (CID 118797992) is N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide is CC(=O)Nc1n[nH]c(-c2ccccc2)c1I.
What is the InChIKey of N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is YYQGPSPCXPRUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c1-7(16)13-11-9(12)10(14-15-11)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide?
N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 327.13 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-5-phenyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 118797992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).