(3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine

C8H10N2 — CID 130254967

IUPAC(3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine
SMILESCC1=NN2C=CC=C[C@@H]2C1
InChIInChI=1S/C8H10N2/c1-7-6-8-4-2-3-5-10(8)9-7/h2-5,8H,6H2,1H3/t8-/m1/s1
InChIKeyMLVZJQFSHBOYII-MRVPVSSYSA-N
MW134.18 g/mol
LogP1.52
Rot. Bonds

About (3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine

(3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine (PubChem CID 130254967) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine
PubChem CID130254967
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine
SMILESCC1=NN2C=CC=C[C@@H]2C1
InChIInChI=1S/C8H10N2/c1-7-6-8-4-2-3-5-10(8)9-7/h2-5,8H,6H2,1H3/t8-/m1/s1
InChIKeyMLVZJQFSHBOYII-MRVPVSSYSA-N
XLogP1.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine?
The IUPAC name of (3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine (CID 130254967) is (3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for (3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine?
The canonical SMILES for (3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine is CC1=NN2C=CC=C[C@@H]2C1.
What is the InChIKey of (3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine?
The InChIKey is MLVZJQFSHBOYII-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10N2/c1-7-6-8-4-2-3-5-10(8)9-7/h2-5,8H,6H2,1H3/t8-/m1/s1.
What are the key properties of (3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine?
(3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine has a molecular weight of 134.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 130254967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).