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

C9H14N2 — CID 591596

IUPAC3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine
SMILESCC1(C)C=NN2CC=CCC21
InChIInChI=1S/C9H14N2/c1-9(2)7-10-11-6-4-3-5-8(9)11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyBXJTWNMYRZFZST-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.64
Rot. Bonds

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

3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine (PubChem CID 591596) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine
PubChem CID591596
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine
SMILESCC1(C)C=NN2CC=CCC21
InChIInChI=1S/C9H14N2/c1-9(2)7-10-11-6-4-3-5-8(9)11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyBXJTWNMYRZFZST-UHFFFAOYSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.64
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 3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine?
The IUPAC name of 3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine (CID 591596) is 3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine is CC1(C)C=NN2CC=CCC21.
What is the InChIKey of 3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine?
The InChIKey is BXJTWNMYRZFZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-9(2)7-10-11-6-4-3-5-8(9)11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine?
3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine has a molecular weight of 150.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4,7-dihydro-3aH-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 591596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).