5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine

C12H15N3 — CID 121288962

IUPAC5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine
SMILESCC(C)c1ccc(Cn2cccn2)nc1
InChIInChI=1S/C12H15N3/c1-10(2)11-4-5-12(13-8-11)9-15-7-3-6-14-15/h3-8,10H,9H2,1-2H3
InChIKeyVQUGXROGXYGRCY-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.45
Rot. Bonds3

About 5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine

5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine (PubChem CID 121288962) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine
PubChem CID121288962
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine
SMILESCC(C)c1ccc(Cn2cccn2)nc1
InChIInChI=1S/C12H15N3/c1-10(2)11-4-5-12(13-8-11)9-15-7-3-6-14-15/h3-8,10H,9H2,1-2H3
InChIKeyVQUGXROGXYGRCY-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine?
The IUPAC name of 5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine (CID 121288962) is 5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine.
What is the SMILES notation for 5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine?
The canonical SMILES for 5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine is CC(C)c1ccc(Cn2cccn2)nc1.
What is the InChIKey of 5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine?
The InChIKey is VQUGXROGXYGRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10(2)11-4-5-12(13-8-11)9-15-7-3-6-14-15/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine?
5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine has a molecular weight of 201.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine is sourced from PubChem (CID 121288962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).