2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine

C16H23N3 — CID 90268941

IUPAC2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ccc(-c2cc(C(C)(C)C)[nH]n2)nc1
InChIInChI=1S/C16H23N3/c1-11(2)8-12-6-7-13(17-10-12)14-9-15(19-18-14)16(3,4)5/h6-7,9-11H,8H2,1-5H3,(H,18,19)
InChIKeyLAAJYMXQNOTKOO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.97
Rot. Bonds3

About 2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine

2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine (PubChem CID 90268941) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine
PubChem CID90268941
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ccc(-c2cc(C(C)(C)C)[nH]n2)nc1
InChIInChI=1S/C16H23N3/c1-11(2)8-12-6-7-13(17-10-12)14-9-15(19-18-14)16(3,4)5/h6-7,9-11H,8H2,1-5H3,(H,18,19)
InChIKeyLAAJYMXQNOTKOO-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine?
The IUPAC name of 2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine (CID 90268941) is 2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine.
What is the SMILES notation for 2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine?
The canonical SMILES for 2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine is CC(C)Cc1ccc(-c2cc(C(C)(C)C)[nH]n2)nc1.
What is the InChIKey of 2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine?
The InChIKey is LAAJYMXQNOTKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)8-12-6-7-13(17-10-12)14-9-15(19-18-14)16(3,4)5/h6-7,9-11H,8H2,1-5H3,(H,18,19).
What are the key properties of 2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine?
2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine has a molecular weight of 257.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine is sourced from PubChem (CID 90268941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).