3-iodo-1,5-dimethyl-4-nitropyrazole

C5H6IN3O2 — CID 15264268

IUPAC3-iodo-1,5-dimethyl-4-nitropyrazole
SMILESCc1c([N+](=O)[O-])c(I)nn1C
InChIInChI=1S/C5H6IN3O2/c1-3-4(9(10)11)5(6)7-8(3)2/h1-2H3
InChIKeyWQQHXKSYJSLXSH-UHFFFAOYSA-N
MW267.03 g/mol
LogP1.24
Rot. Bonds1

About 3-iodo-1,5-dimethyl-4-nitropyrazole

3-iodo-1,5-dimethyl-4-nitropyrazole (PubChem CID 15264268) has the molecular formula C5H6IN3O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 3-iodo-1,5-dimethyl-4-nitropyrazole.

Molecular Properties

Compound Name3-iodo-1,5-dimethyl-4-nitropyrazole
PubChem CID15264268
Molecular FormulaC5H6IN3O2
Molecular Weight267.03 g/mol
Exact Mass266.95
IUPAC Name3-iodo-1,5-dimethyl-4-nitropyrazole
SMILESCc1c([N+](=O)[O-])c(I)nn1C
InChIInChI=1S/C5H6IN3O2/c1-3-4(9(10)11)5(6)7-8(3)2/h1-2H3
InChIKeyWQQHXKSYJSLXSH-UHFFFAOYSA-N
XLogP1.24
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-iodo-1,5-dimethyl-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

1,3,5-Trimethyl-4-nitro-1H-pyrazole
CID 121019
5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole
CID 279515
1H-Pyrazol-3-amine, 1,5-dimethyl-4-nitro-
CID 3809288
1,3-Dimethyl-4-nitro-1H-pyrazole
CID 702892
1H-Pyrazole, 3-bromo-1,5-dimethyl-4-nitro-
CID 3094095
1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile
CID 96507
5-chloro-1-ethyl-3-methyl-4-nitro-1H-pyrazole
CID 66020981
1,5-Dimethyl-4-nitro-1H-pyrazole
CID 544647
1,3,5-Trimethyl-4-nitrosopyrazole
CID 15669009
5-chloro-3-methyl-4-nitro-1-(propan-2-yl)-1H-pyrazole
CID 66022836
5-chloro-3-(chloromethyl)-1-methyl-4-nitro-1H-pyrazole
CID 165674617
1-(Difluoromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
CID 2060833

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,5-dimethyl-4-nitropyrazole?
The IUPAC name of 3-iodo-1,5-dimethyl-4-nitropyrazole (CID 15264268) is 3-iodo-1,5-dimethyl-4-nitropyrazole.
What is the SMILES notation for 3-iodo-1,5-dimethyl-4-nitropyrazole?
The canonical SMILES for 3-iodo-1,5-dimethyl-4-nitropyrazole is Cc1c([N+](=O)[O-])c(I)nn1C.
What is the InChIKey of 3-iodo-1,5-dimethyl-4-nitropyrazole?
The InChIKey is WQQHXKSYJSLXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3O2/c1-3-4(9(10)11)5(6)7-8(3)2/h1-2H3.
What are the key properties of 3-iodo-1,5-dimethyl-4-nitropyrazole?
3-iodo-1,5-dimethyl-4-nitropyrazole has a molecular weight of 267.03 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,5-dimethyl-4-nitropyrazole is sourced from PubChem (CID 15264268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).