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

C9H8ClN5O2 — CID 12562847

IUPAC3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine
SMILESCc1nn(-c2ccc(Cl)nn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C9H8ClN5O2/c1-5-9(15(16)17)6(2)14(13-5)8-4-3-7(10)11-12-8/h3-4H,1-2H3
InChIKeyOUOOTLVDZIAQNB-UHFFFAOYSA-N
MW253.65 g/mol
LogP1.84
Rot. Bonds2

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

3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine (PubChem CID 12562847) has the molecular formula C9H8ClN5O2 and a molecular weight of 253.65 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine
PubChem CID12562847
Molecular FormulaC9H8ClN5O2
Molecular Weight253.65 g/mol
Exact Mass253.04
IUPAC Name3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine
SMILESCc1nn(-c2ccc(Cl)nn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C9H8ClN5O2/c1-5-9(15(16)17)6(2)14(13-5)8-4-3-7(10)11-12-8/h3-4H,1-2H3
InChIKeyOUOOTLVDZIAQNB-UHFFFAOYSA-N
XLogP1.84
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 51.84
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-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine
CID 66021341
3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine
CID 104513882
4-(3,5-dimethyl-4-nitropyrazol-1-yl)benzenesulfonyl chloride
CID 98468395
3,5-dimethyl-1-(2-methylphenyl)-4-nitropyrazole
CID 50887934
3-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanoic acid
CID 65295688
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-5-methylbenzonitrile
CID 107928015
methyl 6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyrazine-2-carboxylate
CID 66456070
1-(5-bromo-2-pyridinyl)-3-methyl-4-nitropyrazol-5-amine
CID 65347634
5-bromo-2-(3,5-dimethyl-4-nitropyrazol-1-yl)benzoic acid
CID 114896055
3-bromo-4-(3,5-dimethyl-4-nitropyrazol-1-yl)benzoic acid
CID 82800709
3,5-dimethyl-4-nitropyrazole-1-carboxamide
CID 134262667
1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole
CID 66021174

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine (CID 12562847) is 3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine is Cc1nn(-c2ccc(Cl)nn2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine?
The InChIKey is OUOOTLVDZIAQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O2/c1-5-9(15(16)17)6(2)14(13-5)8-4-3-7(10)11-12-8/h3-4H,1-2H3.
What are the key properties of 3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine?
3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine has a molecular weight of 253.65 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazine is sourced from PubChem (CID 12562847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).