1-phenylpyrazole-4-carbonyl iodide

C10H7IN2O — CID 130257311

IUPAC1-phenylpyrazole-4-carbonyl iodide
SMILESO=C(I)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H7IN2O/c11-10(14)8-6-12-13(7-8)9-4-2-1-3-5-9/h1-7H
InChIKeyNOLOPEXWEPKEBW-UHFFFAOYSA-N
MW298.08 g/mol
LogP2.45
Rot. Bonds2

About 1-phenylpyrazole-4-carbonyl iodide

1-phenylpyrazole-4-carbonyl iodide (PubChem CID 130257311) has the molecular formula C10H7IN2O and a molecular weight of 298.08 g/mol. Its IUPAC name is 1-phenylpyrazole-4-carbonyl iodide.

Molecular Properties

Compound Name1-phenylpyrazole-4-carbonyl iodide
PubChem CID130257311
Molecular FormulaC10H7IN2O
Molecular Weight298.08 g/mol
Exact Mass297.96
IUPAC Name1-phenylpyrazole-4-carbonyl iodide
SMILESO=C(I)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H7IN2O/c11-10(14)8-6-12-13(7-8)9-4-2-1-3-5-9/h1-7H
InChIKeyNOLOPEXWEPKEBW-UHFFFAOYSA-N
XLogP2.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
2-(1-phenylpyrazol-4-yl)but-2-enoic acid
CID 54092453
(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463443
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
(Z)-2-fluoro-3-(1-phenylpyrazol-4-yl)but-2-enoic acid
CID 81470345
2-bromo-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 43144160
2-(4-iodophenyl)-1-(1-phenylpyrazol-4-yl)ethanone
CID 105103146
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 114032783

Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrazole-4-carbonyl iodide?
The IUPAC name of 1-phenylpyrazole-4-carbonyl iodide (CID 130257311) is 1-phenylpyrazole-4-carbonyl iodide.
What is the SMILES notation for 1-phenylpyrazole-4-carbonyl iodide?
The canonical SMILES for 1-phenylpyrazole-4-carbonyl iodide is O=C(I)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenylpyrazole-4-carbonyl iodide?
The InChIKey is NOLOPEXWEPKEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2O/c11-10(14)8-6-12-13(7-8)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 1-phenylpyrazole-4-carbonyl iodide?
1-phenylpyrazole-4-carbonyl iodide has a molecular weight of 298.08 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazole-4-carbonyl iodide is sourced from PubChem (CID 130257311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).