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

C12H15N3 — CID 15520583

IUPAC4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine
SMILESCC(C)(C)c1ccnc(-c2ccn[nH]2)c1
InChIInChI=1S/C12H15N3/c1-12(2,3)9-4-6-13-11(8-9)10-5-7-14-15-10/h4-8H,1-3H3,(H,14,15)
InChIKeyXNGVRZRQJLNFIM-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.77
Rot. Bonds1

About 4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine

4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine (PubChem CID 15520583) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine
PubChem CID15520583
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine
SMILESCC(C)(C)c1ccnc(-c2ccn[nH]2)c1
InChIInChI=1S/C12H15N3/c1-12(2,3)9-4-6-13-11(8-9)10-5-7-14-15-10/h4-8H,1-3H3,(H,14,15)
InChIKeyXNGVRZRQJLNFIM-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;chlororhenium;methanone
CID 164886835
bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);methanol;bis(oxygen(2-));bis(vanadium(4+));disulfate
CID 139041352
octakis(acetonitrile);hexakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);molybdenum;(oxygen(2-))
CID 139082640
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis(dioxido(dioxo)chromium);bis(oxygen(2-));bis(vanadium)
CID 53380188
4-(difluoromethoxy)-2-(1H-pyrazol-5-yl)pyridine
CID 146279888
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide)
CID 139184382
4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 164797295
4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine
CID 178179780
2-(1H-pyrazol-5-yl)pyrazine
CID 15865548
2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine
CID 156780767

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine (CID 15520583) is 4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine is CC(C)(C)c1ccnc(-c2ccn[nH]2)c1.
What is the InChIKey of 4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine?
The InChIKey is XNGVRZRQJLNFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-12(2,3)9-4-6-13-11(8-9)10-5-7-14-15-10/h4-8H,1-3H3,(H,14,15).
What are the key properties of 4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine?
4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine has a molecular weight of 201.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 15520583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).