3-(4-iodophenoxy)-1-methyl-4-nitropyrazole

C10H8IN3O3 — CID 103079501

IUPAC3-(4-iodophenoxy)-1-methyl-4-nitropyrazole
SMILESCn1cc([N+](=O)[O-])c(Oc2ccc(I)cc2)n1
InChIInChI=1S/C10H8IN3O3/c1-13-6-9(14(15)16)10(12-13)17-8-4-2-7(11)3-5-8/h2-6H,1H3
InChIKeyVWSDVKBMWYQHHO-UHFFFAOYSA-N
MW345.10 g/mol
LogP2.73
Rot. Bonds3

About 3-(4-iodophenoxy)-1-methyl-4-nitropyrazole

3-(4-iodophenoxy)-1-methyl-4-nitropyrazole (PubChem CID 103079501) has the molecular formula C10H8IN3O3 and a molecular weight of 345.10 g/mol. Its IUPAC name is 3-(4-iodophenoxy)-1-methyl-4-nitropyrazole.

Molecular Properties

Compound Name3-(4-iodophenoxy)-1-methyl-4-nitropyrazole
PubChem CID103079501
Molecular FormulaC10H8IN3O3
Molecular Weight345.10 g/mol
Exact Mass344.96
IUPAC Name3-(4-iodophenoxy)-1-methyl-4-nitropyrazole
SMILESCn1cc([N+](=O)[O-])c(Oc2ccc(I)cc2)n1
InChIInChI=1S/C10H8IN3O3/c1-13-6-9(14(15)16)10(12-13)17-8-4-2-7(11)3-5-8/h2-6H,1H3
InChIKeyVWSDVKBMWYQHHO-UHFFFAOYSA-N
XLogP2.73
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.10
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(4-iodophenoxy)-1-methyl-4-nitropyrazole 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

2-(4-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131555
4-methoxy-2-(1-methyl-4-nitropyrazol-3-yl)oxybenzoic acid
CID 103080460
5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 103080470
6-(4-iodophenoxy)-2-methyl-3-nitropyridine
CID 80719025
2-fluoro-6-(1-methyl-4-nitropyrazol-3-yl)oxybenzoic acid
CID 107016353
3-methoxy-2-(1-methyl-4-nitropyrazol-3-yl)oxybenzoic acid
CID 103080461
4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine
CID 103080533
1-bromo-2-(4-iodophenoxy)-4-methyl-5-nitrobenzene
CID 114048058
1,3-bis(4-iodophenoxy)-5-nitrobenzene
CID 3092167
1-[5-(4-iodophenoxy)-4-nitrothiophen-2-yl]ethanone
CID 112623148
2,4-bis(4-methoxyphenoxy)-5-nitropyrimidine
CID 58243049
1-[3-(1-methyl-4-nitropyrazol-3-yl)oxyazetidin-1-yl]ethanone
CID 166513154

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenoxy)-1-methyl-4-nitropyrazole?
The IUPAC name of 3-(4-iodophenoxy)-1-methyl-4-nitropyrazole (CID 103079501) is 3-(4-iodophenoxy)-1-methyl-4-nitropyrazole.
What is the SMILES notation for 3-(4-iodophenoxy)-1-methyl-4-nitropyrazole?
The canonical SMILES for 3-(4-iodophenoxy)-1-methyl-4-nitropyrazole is Cn1cc([N+](=O)[O-])c(Oc2ccc(I)cc2)n1.
What is the InChIKey of 3-(4-iodophenoxy)-1-methyl-4-nitropyrazole?
The InChIKey is VWSDVKBMWYQHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O3/c1-13-6-9(14(15)16)10(12-13)17-8-4-2-7(11)3-5-8/h2-6H,1H3.
What are the key properties of 3-(4-iodophenoxy)-1-methyl-4-nitropyrazole?
3-(4-iodophenoxy)-1-methyl-4-nitropyrazole has a molecular weight of 345.10 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenoxy)-1-methyl-4-nitropyrazole is sourced from PubChem (CID 103079501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).