3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine

C9H6Cl2F2N4 — CID 103294273

IUPAC3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine
SMILESFC(F)c1nn(-c2cccnn2)c(Cl)c1CCl
InChIInChI=1S/C9H6Cl2F2N4/c10-4-5-7(9(12)13)16-17(8(5)11)6-2-1-3-14-15-6/h1-3,9H,4H2
InChIKeySLIFNEBYMWVXCI-UHFFFAOYSA-N
MW279.08 g/mol
LogP2.99
Rot. Bonds3

About 3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine

3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine (PubChem CID 103294273) has the molecular formula C9H6Cl2F2N4 and a molecular weight of 279.08 g/mol. Its IUPAC name is 3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine
PubChem CID103294273
Molecular FormulaC9H6Cl2F2N4
Molecular Weight279.08 g/mol
Exact Mass277.99
IUPAC Name3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine
SMILESFC(F)c1nn(-c2cccnn2)c(Cl)c1CCl
InChIInChI=1S/C9H6Cl2F2N4/c10-4-5-7(9(12)13)16-17(8(5)11)6-2-1-3-14-15-6/h1-3,9H,4H2
InChIKeySLIFNEBYMWVXCI-UHFFFAOYSA-N
XLogP2.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
CID 62891907
5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride
CID 103294611
3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine
CID 103294464
5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294428
4-[5-chloro-4-(chloromethyl)-3-propan-2-ylpyrazol-1-yl]pyrimidine
CID 79822652
[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol
CID 62892945
5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 103294248
2-[5-chloro-4-(chloromethyl)-3-propan-2-ylpyrazol-1-yl]pyrazine
CID 81041895
2-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine
CID 66022997
5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde
CID 103294235
5-chloro-4-(chloromethyl)-1-(2,4-difluorophenyl)-3-propan-2-ylpyrazole
CID 43156565
3-propan-2-yl-1-pyridazin-3-ylpyrazol-5-amine
CID 103294292

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine?
The IUPAC name of 3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine (CID 103294273) is 3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine?
The canonical SMILES for 3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine is FC(F)c1nn(-c2cccnn2)c(Cl)c1CCl.
What is the InChIKey of 3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine?
The InChIKey is SLIFNEBYMWVXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F2N4/c10-4-5-7(9(12)13)16-17(8(5)11)6-2-1-3-14-15-6/h1-3,9H,4H2.
What are the key properties of 3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine?
3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine has a molecular weight of 279.08 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine is sourced from PubChem (CID 103294273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).