2-(3,4-ditert-butylpyrazol-1-yl)pyridine

C16H23N3 — CID 164762760

IUPAC2-(3,4-ditert-butylpyrazol-1-yl)pyridine
SMILESCC(C)(C)c1cn(-c2ccccn2)nc1C(C)(C)C
InChIInChI=1S/C16H23N3/c1-15(2,3)12-11-19(13-9-7-8-10-17-13)18-14(12)16(4,5)6/h7-11H,1-6H3
InChIKeyIWOXNVVJTLWLPE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.86
Rot. Bonds1

About 2-(3,4-ditert-butylpyrazol-1-yl)pyridine

2-(3,4-ditert-butylpyrazol-1-yl)pyridine (PubChem CID 164762760) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(3,4-ditert-butylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-(3,4-ditert-butylpyrazol-1-yl)pyridine
PubChem CID164762760
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(3,4-ditert-butylpyrazol-1-yl)pyridine
SMILESCC(C)(C)c1cn(-c2ccccn2)nc1C(C)(C)C
InChIInChI=1S/C16H23N3/c1-15(2,3)12-11-19(13-9-7-8-10-17-13)18-14(12)16(4,5)6/h7-11H,1-6H3
InChIKeyIWOXNVVJTLWLPE-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-ditert-butylpyrazol-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-2-ylindazole
CID 58814039
2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine
CID 58814007
4-(4-methyl-1-pyridin-2-ylpyrazol-3-yl)morpholine
CID 142590881
3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 146258509
2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine
CID 123989835
2-(tetrazol-1-yl)pyridine
CID 11679840
3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324089
3-tert-butyl-1-pyridin-2-ylpyrazole-5-carbonitrile
CID 58093568
3-(3,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 63750754
2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 96626310
3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
CID 43381330
5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 176692287

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-ditert-butylpyrazol-1-yl)pyridine?
The IUPAC name of 2-(3,4-ditert-butylpyrazol-1-yl)pyridine (CID 164762760) is 2-(3,4-ditert-butylpyrazol-1-yl)pyridine.
What is the SMILES notation for 2-(3,4-ditert-butylpyrazol-1-yl)pyridine?
The canonical SMILES for 2-(3,4-ditert-butylpyrazol-1-yl)pyridine is CC(C)(C)c1cn(-c2ccccn2)nc1C(C)(C)C.
What is the InChIKey of 2-(3,4-ditert-butylpyrazol-1-yl)pyridine?
The InChIKey is IWOXNVVJTLWLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-15(2,3)12-11-19(13-9-7-8-10-17-13)18-14(12)16(4,5)6/h7-11H,1-6H3.
What are the key properties of 2-(3,4-ditert-butylpyrazol-1-yl)pyridine?
2-(3,4-ditert-butylpyrazol-1-yl)pyridine has a molecular weight of 257.38 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-ditert-butylpyrazol-1-yl)pyridine is sourced from PubChem (CID 164762760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).