2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C12H20N2 — CID 89402114

IUPAC2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)Cc1cc2n(n1)CCCC2
InChIInChI=1S/C12H20N2/c1-12(2,3)9-10-8-11-6-4-5-7-14(11)13-10/h8H,4-7,9H2,1-3H3
InChIKeySPVHHWCYKCTTJF-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.81
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 89402114) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID89402114
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)Cc1cc2n(n1)CCCC2
InChIInChI=1S/C12H20N2/c1-12(2,3)9-10-8-11-6-4-5-7-14(11)13-10/h8H,4-7,9H2,1-3H3
InChIKeySPVHHWCYKCTTJF-UHFFFAOYSA-N
XLogP2.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 89402114) is 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC(C)(C)Cc1cc2n(n1)CCCC2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is SPVHHWCYKCTTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,3)9-10-8-11-6-4-5-7-14(11)13-10/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 192.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 89402114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).