3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine

C12H15ClN4 — CID 61256222

IUPAC3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCCc1c(C)nn(-c2ccc(CCl)nn2)c1C
InChIInChI=1S/C12H15ClN4/c1-4-11-8(2)16-17(9(11)3)12-6-5-10(7-13)14-15-12/h5-6H,4,7H2,1-3H3
InChIKeyZLHHEAORJMFCKY-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.58
Rot. Bonds3

About 3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine

3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine (PubChem CID 61256222) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine
PubChem CID61256222
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCCc1c(C)nn(-c2ccc(CCl)nn2)c1C
InChIInChI=1S/C12H15ClN4/c1-4-11-8(2)16-17(9(11)3)12-6-5-10(7-13)14-15-12/h5-6H,4,7H2,1-3H3
InChIKeyZLHHEAORJMFCKY-UHFFFAOYSA-N
XLogP2.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.58
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

1-Chloro-4-(3,5-dimethyl-pyrazol-1-yl)-phthalazine
CID 3146873
3-Chloro-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 321073
3-(3,5-Dimethylpyrazol-1-yl)-6-methylpyridazine
CID 321085
3-(3,5-Dimethylpyrazol-1-yl)-6-phenylpyridazine
CID 15576747
3-methyl-1-(6-methylpyridazin-3-yl)-1H-pyrazol-5-amine
CID 24253002
3-(4-Chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 127038924
3-(Trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridazine
CID 57974266
3-(3,5-Dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyridazine
CID 81838014
2-Chloro-6-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716254
3-Methyl-6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine
CID 143483802
2-Chloro-6-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]pyridine
CID 174054306
3-Chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine
CID 12562837

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine (CID 61256222) is 3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine is CCc1c(C)nn(-c2ccc(CCl)nn2)c1C.
What is the InChIKey of 3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine?
The InChIKey is ZLHHEAORJMFCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-4-11-8(2)16-17(9(11)3)12-6-5-10(7-13)14-15-12/h5-6H,4,7H2,1-3H3.
What are the key properties of 3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine?
3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine has a molecular weight of 250.73 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 61256222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).