3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine

C8H5Cl2N5O2 — CID 66021341

IUPAC3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine
SMILESCc1nn(-c2ccc(Cl)nn2)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H5Cl2N5O2/c1-4-7(15(16)17)8(10)14(13-4)6-3-2-5(9)11-12-6/h2-3H,1H3
InChIKeyARWVEVXDKMAFAE-UHFFFAOYSA-N
MW274.07 g/mol
LogP2.19
Rot. Bonds2

About 3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine

3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine (PubChem CID 66021341) has the molecular formula C8H5Cl2N5O2 and a molecular weight of 274.07 g/mol. Its IUPAC name is 3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine
PubChem CID66021341
Molecular FormulaC8H5Cl2N5O2
Molecular Weight274.07 g/mol
Exact Mass272.98
IUPAC Name3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine
SMILESCc1nn(-c2ccc(Cl)nn2)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H5Cl2N5O2/c1-4-7(15(16)17)8(10)14(13-4)6-3-2-5(9)11-12-6/h2-3H,1H3
InChIKeyARWVEVXDKMAFAE-UHFFFAOYSA-N
XLogP2.19
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine
CID 12562847
1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole
CID 66021174
3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine
CID 104513882
5-chloro-3-methyl-1-[(2-methylphenyl)methyl]-4-nitropyrazole
CID 66014694
1-(5-bromo-2-pyridinyl)-3-methyl-4-nitropyrazol-5-amine
CID 65347634
4-(3,5-dimethyl-4-nitropyrazol-1-yl)benzenesulfonyl chloride
CID 98468395
3,5-dimethyl-1-(2-methylphenyl)-4-nitropyrazole
CID 50887934
5-chloro-1-(6-chloropyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 43145581
4-(5-chloro-4-nitro-3-propan-2-ylpyrazol-1-yl)-2,6-dimethylpyrimidine
CID 79822764
4-[5-chloro-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine
CID 79826988
4-(5-chloro-4-nitro-3-propylpyrazol-1-yl)-6-methylpyrimidine
CID 66021833
N-(3-chloro-2-methylphenyl)-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480608

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine (CID 66021341) is 3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine is Cc1nn(-c2ccc(Cl)nn2)c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine?
The InChIKey is ARWVEVXDKMAFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N5O2/c1-4-7(15(16)17)8(10)14(13-4)6-3-2-5(9)11-12-6/h2-3H,1H3.
What are the key properties of 3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine?
3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine has a molecular weight of 274.07 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine is sourced from PubChem (CID 66021341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).