3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine

C11H14N4 — CID 118520435

IUPAC3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine
SMILESCc1cc(-n2ccc(C(C)C)n2)cnn1
InChIInChI=1S/C11H14N4/c1-8(2)11-4-5-15(14-11)10-6-9(3)13-12-7-10/h4-8H,1-3H3
InChIKeyOHOFPCVLAXAORA-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.09
Rot. Bonds2

About 3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine

3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine (PubChem CID 118520435) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine
PubChem CID118520435
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine
SMILESCc1cc(-n2ccc(C(C)C)n2)cnn1
InChIInChI=1S/C11H14N4/c1-8(2)11-4-5-15(14-11)10-6-9(3)13-12-7-10/h4-8H,1-3H3
InChIKeyOHOFPCVLAXAORA-UHFFFAOYSA-N
XLogP2.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine (CID 118520435) is 3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine is Cc1cc(-n2ccc(C(C)C)n2)cnn1.
What is the InChIKey of 3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine?
The InChIKey is OHOFPCVLAXAORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(2)11-4-5-15(14-11)10-6-9(3)13-12-7-10/h4-8H,1-3H3.
What are the key properties of 3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine?
3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine has a molecular weight of 202.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 118520435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).