3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine

C12H15ClN4 — CID 12562838

IUPAC3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine
SMILESCc1nn(-c2ccc(Cl)nn2)c(C)c1C(C)C
InChIInChI=1S/C12H15ClN4/c1-7(2)12-8(3)16-17(9(12)4)11-6-5-10(13)14-15-11/h5-7H,1-4H3
InChIKeyBLGCXEGXSYPWMJ-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.06
Rot. Bonds2

About 3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine

3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine (PubChem CID 12562838) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine
PubChem CID12562838
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine
SMILESCc1nn(-c2ccc(Cl)nn2)c(C)c1C(C)C
InChIInChI=1S/C12H15ClN4/c1-7(2)12-8(3)16-17(9(12)4)11-6-5-10(13)14-15-11/h5-7H,1-4H3
InChIKeyBLGCXEGXSYPWMJ-UHFFFAOYSA-N
XLogP3.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine (CID 12562838) is 3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine is Cc1nn(-c2ccc(Cl)nn2)c(C)c1C(C)C.
What is the InChIKey of 3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine?
The InChIKey is BLGCXEGXSYPWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-7(2)12-8(3)16-17(9(12)4)11-6-5-10(13)14-15-11/h5-7H,1-4H3.
What are the key properties of 3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine?
3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine has a molecular weight of 250.73 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 12562838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).