2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine

C9H12N2 — CID 123536790

IUPAC2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine
SMILESCC1=CC2CC(C)=NN2C=C1
InChIInChI=1S/C9H12N2/c1-7-3-4-11-9(5-7)6-8(2)10-11/h3-5,9H,6H2,1-2H3
InChIKeyOIAHUFDABLVOTI-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.91
Rot. Bonds

About 2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine

2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine (PubChem CID 123536790) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine
PubChem CID123536790
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine
SMILESCC1=CC2CC(C)=NN2C=C1
InChIInChI=1S/C9H12N2/c1-7-3-4-11-9(5-7)6-8(2)10-11/h3-5,9H,6H2,1-2H3
InChIKeyOIAHUFDABLVOTI-UHFFFAOYSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dimethyl-5,7a-dihydroindazole
CID 21336393
3,5-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium
CID 58047025
3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium
CID 58047087
1,3-Dimethyl-5,7a-dihydroindazole;ethane
CID 90787896
2-Methyl-4-propan-2-yl-3,7-dihydroindazole
CID 118124524
2,4-Dimethyl-3,7-dihydroindazole
CID 118133040
3,5-Dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine
CID 123942194
3H-pyrazolo[1,2-b][1,2,3]benzotriazine
CID 123981087
1,3-Dimethyl-3a,7a-dihydroindazole
CID 129262293
(3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine
CID 130254967
2-Methyl-3,3a-dihydropyrazolo[1,5-a]pyridine
CID 130254995
(4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342687

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine (CID 123536790) is 2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine is CC1=CC2CC(C)=NN2C=C1.
What is the InChIKey of 2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine?
The InChIKey is OIAHUFDABLVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-3-4-11-9(5-7)6-8(2)10-11/h3-5,9H,6H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine?
2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine has a molecular weight of 148.21 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 123536790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).