1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone

C10H10ClIN4O — CID 5304656

IUPAC1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone
SMILESCc1nn(C(=O)Cn2cc(I)cn2)c(C)c1Cl
InChIInChI=1S/C10H10ClIN4O/c1-6-10(11)7(2)16(14-6)9(17)5-15-4-8(12)3-13-15/h3-4H,5H2,1-2H3
InChIKeyFXWXINOSHQBXCZ-UHFFFAOYSA-N
MW364.57 g/mol
LogP2.29
Rot. Bonds2

About 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone

1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone (PubChem CID 5304656) has the molecular formula C10H10ClIN4O and a molecular weight of 364.57 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone
PubChem CID5304656
Molecular FormulaC10H10ClIN4O
Molecular Weight364.57 g/mol
Exact Mass363.96
IUPAC Name1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone
SMILESCc1nn(C(=O)Cn2cc(I)cn2)c(C)c1Cl
InChIInChI=1S/C10H10ClIN4O/c1-6-10(11)7(2)16(14-6)9(17)5-15-4-8(12)3-13-15/h3-4H,5H2,1-2H3
InChIKeyFXWXINOSHQBXCZ-UHFFFAOYSA-N
XLogP2.29
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-iodopyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 5299765
1-(4-iodopyrazol-1-yl)-3-methylbutan-2-one
CID 78997502
ethyl 5-(4-iodopyrazol-1-yl)-4-oxopentanoate
CID 103484780
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 6499812
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-iodophenyl)ethanone
CID 62128836
1-(fluoromethyl)-4-iodopyrazole
CID 170247528
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one
CID 15943592
(2S)-3-(4-iodopyrazol-1-yl)-2-methylpropanoic acid
CID 95371185
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19525380
1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone
CID 1257363
(3R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-one
CID 40793297
4-(4-iodopyrazol-1-yl)-2-methylbut-2-enoic acid
CID 77075160

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone?
The IUPAC name of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone (CID 5304656) is 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone?
The canonical SMILES for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone is Cc1nn(C(=O)Cn2cc(I)cn2)c(C)c1Cl.
What is the InChIKey of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone?
The InChIKey is FXWXINOSHQBXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN4O/c1-6-10(11)7(2)16(14-6)9(17)5-15-4-8(12)3-13-15/h3-4H,5H2,1-2H3.
What are the key properties of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone?
1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone has a molecular weight of 364.57 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-iodopyrazol-1-yl)ethanone is sourced from PubChem (CID 5304656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).