2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine

C10H16N2 — CID 591096

IUPAC2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine
SMILESCC1=NN2CC=CCC2C1(C)C
InChIInChI=1S/C10H16N2/c1-8-10(2,3)9-6-4-5-7-12(9)11-8/h4-5,9H,6-7H2,1-3H3
InChIKeyCVYOGUUJXMNHNO-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.03
Rot. Bonds

About 2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine

2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine (PubChem CID 591096) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine
PubChem CID591096
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine
SMILESCC1=NN2CC=CCC2C1(C)C
InChIInChI=1S/C10H16N2/c1-8-10(2,3)9-6-4-5-7-12(9)11-8/h4-5,9H,6-7H2,1-3H3
InChIKeyCVYOGUUJXMNHNO-UHFFFAOYSA-N
XLogP2.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine?
The IUPAC name of 2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine (CID 591096) is 2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine is CC1=NN2CC=CCC2C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine?
The InChIKey is CVYOGUUJXMNHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-10(2,3)9-6-4-5-7-12(9)11-8/h4-5,9H,6-7H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine?
2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine has a molecular weight of 164.25 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 591096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).