3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine

C14H19N3 — CID 58128806

IUPAC3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine
SMILESCC(C)c1cnn(-c2cccnc2)c1C(C)C
InChIInChI=1S/C14H19N3/c1-10(2)13-9-16-17(14(13)11(3)4)12-6-5-7-15-8-12/h5-11H,1-4H3
InChIKeyYPEKDCPALGLIKT-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.51
Rot. Bonds3

About 3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine

3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine (PubChem CID 58128806) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine
PubChem CID58128806
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine
SMILESCC(C)c1cnn(-c2cccnc2)c1C(C)C
InChIInChI=1S/C14H19N3/c1-10(2)13-9-16-17(14(13)11(3)4)12-6-5-7-15-8-12/h5-11H,1-4H3
InChIKeyYPEKDCPALGLIKT-UHFFFAOYSA-N
XLogP3.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine?
The IUPAC name of 3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine (CID 58128806) is 3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine is CC(C)c1cnn(-c2cccnc2)c1C(C)C.
What is the InChIKey of 3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine?
The InChIKey is YPEKDCPALGLIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)13-9-16-17(14(13)11(3)4)12-6-5-7-15-8-12/h5-11H,1-4H3.
What are the key properties of 3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine?
3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine has a molecular weight of 229.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-di(propan-2-yl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 58128806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).