3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine

C13H20N2 — CID 71221324

IUPAC3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine
SMILESCCN1CC(C(C)(C)C)=C2C=CC=CN21
InChIInChI=1S/C13H20N2/c1-5-14-10-11(13(2,3)4)12-8-6-7-9-15(12)14/h6-9H,5,10H2,1-4H3
InChIKeyVLIRMUGVZSHJJZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.92
Rot. Bonds1

About 3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine

3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine (PubChem CID 71221324) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine
PubChem CID71221324
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine
SMILESCCN1CC(C(C)(C)C)=C2C=CC=CN21
InChIInChI=1S/C13H20N2/c1-5-14-10-11(13(2,3)4)12-8-6-7-9-15(12)14/h6-9H,5,10H2,1-4H3
InChIKeyVLIRMUGVZSHJJZ-UHFFFAOYSA-N
XLogP2.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-ditert-butyl-2H-pyrazolo[1,5-a]pyridine
CID 58796742
2-Tert-butyl-1-methyl-3,8a-dihydroindolizine
CID 59640670
3-Tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 126704211
ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-2-methyl-3H-pyrazole
CID 143596132
4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine
CID 144774488
N-[(2E)-2-(3,3-dimethylbutan-2-ylidene)-1-pyridinyl]methanimine
CID 146366733
1-ethyl-2,3a,6-trimethyl-7aH-indole
CID 146588154
8-Tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine
CID 155278172
2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine
CID 166774723
1,2-di(propan-2-yl)-3aH-pyrazolo[1,5-a]pyridine
CID 166774814
1,6-dimethyl-2H-pyrazolo[1,5-a]pyridine
CID 167279985
2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine
CID 167370612

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine (CID 71221324) is 3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine is CCN1CC(C(C)(C)C)=C2C=CC=CN21.
What is the InChIKey of 3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine?
The InChIKey is VLIRMUGVZSHJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-14-10-11(13(2,3)4)12-8-6-7-9-15(12)14/h6-9H,5,10H2,1-4H3.
What are the key properties of 3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine?
3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine has a molecular weight of 204.32 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethyl-2H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 71221324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).