3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine

C11H14N4 — CID 103294491

IUPAC3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine
SMILESCC(C)Cc1ccn(-c2cccnn2)n1
InChIInChI=1S/C11H14N4/c1-9(2)8-10-5-7-15(14-10)11-4-3-6-12-13-11/h3-7,9H,8H2,1-2H3
InChIKeyKKIDTERLANVLQQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.86
Rot. Bonds3

About 3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine

3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine (PubChem CID 103294491) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine
PubChem CID103294491
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine
SMILESCC(C)Cc1ccn(-c2cccnn2)n1
InChIInChI=1S/C11H14N4/c1-9(2)8-10-5-7-15(14-10)11-4-3-6-12-13-11/h3-7,9H,8H2,1-2H3
InChIKeyKKIDTERLANVLQQ-UHFFFAOYSA-N
XLogP1.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine?
The IUPAC name of 3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine (CID 103294491) is 3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine?
The canonical SMILES for 3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine is CC(C)Cc1ccn(-c2cccnn2)n1.
What is the InChIKey of 3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine?
The InChIKey is KKIDTERLANVLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9(2)8-10-5-7-15(14-10)11-4-3-6-12-13-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine?
3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine has a molecular weight of 202.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine is sourced from PubChem (CID 103294491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).