1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C11H17N3O — CID 83848512

IUPAC1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCn1nc(C2CCCO2)c2c1CCNC2
InChIInChI=1S/C11H17N3O/c1-14-9-4-5-12-7-8(9)11(13-14)10-3-2-6-15-10/h10,12H,2-7H2,1H3
InChIKeyWINTWBKYLUCRQK-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.92
Rot. Bonds1

About 1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 83848512) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID83848512
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCn1nc(C2CCCO2)c2c1CCNC2
InChIInChI=1S/C11H17N3O/c1-14-9-4-5-12-7-8(9)11(13-14)10-3-2-6-15-10/h10,12H,2-7H2,1H3
InChIKeyWINTWBKYLUCRQK-UHFFFAOYSA-N
XLogP0.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 83848512) is 1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cn1nc(C2CCCO2)c2c1CCNC2.
What is the InChIKey of 1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is WINTWBKYLUCRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-9-4-5-12-7-8(9)11(13-14)10-3-2-6-15-10/h10,12H,2-7H2,1H3.
What are the key properties of 1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 207.28 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 83848512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).