1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone

C10H10IN5O3 — CID 1257363

IUPAC1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone
SMILESCc1nn(C(=O)Cn2ccc([N+](=O)[O-])n2)c(C)c1I
InChIInChI=1S/C10H10IN5O3/c1-6-10(11)7(2)15(12-6)9(17)5-14-4-3-8(13-14)16(18)19/h3-4H,5H2,1-2H3
InChIKeyWLEFGNUUIFGXNV-UHFFFAOYSA-N
MW375.13 g/mol
LogP1.55
Rot. Bonds3

About 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone

1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone (PubChem CID 1257363) has the molecular formula C10H10IN5O3 and a molecular weight of 375.13 g/mol. Its IUPAC name is 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone
PubChem CID1257363
Molecular FormulaC10H10IN5O3
Molecular Weight375.13 g/mol
Exact Mass374.98
IUPAC Name1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone
SMILESCc1nn(C(=O)Cn2ccc([N+](=O)[O-])n2)c(C)c1I
InChIInChI=1S/C10H10IN5O3/c1-6-10(11)7(2)15(12-6)9(17)5-14-4-3-8(13-14)16(18)19/h3-4H,5H2,1-2H3
InChIKeyWLEFGNUUIFGXNV-UHFFFAOYSA-N
XLogP1.55
TPSA95.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-nitropyrazol-1-yl)pentan-2-one
CID 62041636
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 557433
N'-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]-2-(3-nitropyrazol-1-yl)acetohydrazide
CID 35208736
N-(2,6-dimethylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521512
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521755
N-(2-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 47239868
N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 65114080
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830
2-ethyl-1-[2-(3-nitropyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 83058325
1-(bromomethyl)-3-nitropyrazole
CID 58266069
(2R)-1-[2-(3-nitropyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 55149295
3-hydroxy-3-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 66003089

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone?
The IUPAC name of 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone (CID 1257363) is 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone?
The canonical SMILES for 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone is Cc1nn(C(=O)Cn2ccc([N+](=O)[O-])n2)c(C)c1I.
What is the InChIKey of 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone?
The InChIKey is WLEFGNUUIFGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN5O3/c1-6-10(11)7(2)15(12-6)9(17)5-14-4-3-8(13-14)16(18)19/h3-4H,5H2,1-2H3.
What are the key properties of 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone?
1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone has a molecular weight of 375.13 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-(3-nitropyrazol-1-yl)ethanone is sourced from PubChem (CID 1257363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).