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

C10H10ClN5O2 — CID 104513882

IUPAC3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine
SMILESCc1nn(Cc2ccc(Cl)nn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN5O2/c1-6-10(16(17)18)7(2)15(14-6)5-8-3-4-9(11)13-12-8/h3-4H,5H2,1-2H3
InChIKeyWKOSQFINGKJQFB-UHFFFAOYSA-N
MW267.68 g/mol
LogP1.90
Rot. Bonds3

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

3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine (PubChem CID 104513882) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine
PubChem CID104513882
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine
SMILESCc1nn(Cc2ccc(Cl)nn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN5O2/c1-6-10(16(17)18)7(2)15(14-6)5-8-3-4-9(11)13-12-8/h3-4H,5H2,1-2H3
InChIKeyWKOSQFINGKJQFB-UHFFFAOYSA-N
XLogP1.90
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.90
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
2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine
CID 55075456
3,5-dimethyl-4-nitro-1-[(4-phenylphenyl)methyl]pyrazole
CID 9453009
3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine
CID 104513974
1-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinazoline
CID 31808029
2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 32792520
3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine
CID 66021341
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzohydrazide
CID 844330
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664486
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]aniline
CID 113274124
2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl chloride
CID 83813704

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine (CID 104513882) is 3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine is Cc1nn(Cc2ccc(Cl)nn2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine?
The InChIKey is WKOSQFINGKJQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-6-10(16(17)18)7(2)15(14-6)5-8-3-4-9(11)13-12-8/h3-4H,5H2,1-2H3.
What are the key properties of 3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine?
3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine has a molecular weight of 267.68 g/mol, XLogP of 1.90, 3 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)methyl]pyridazine is sourced from PubChem (CID 104513882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).