(6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C11H17N3O — CID 121435453

IUPAC(6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESC[C@H]1Cc2[nH]nc(C3CCCO3)c2CN1
InChIInChI=1S/C11H17N3O/c1-7-5-9-8(6-12-7)11(14-13-9)10-3-2-4-15-10/h7,10,12H,2-6H2,1H3,(H,13,14)/t7-,10?/m0/s1
InChIKeyZVNVHCDAWYRXOL-BYDSUWOYSA-N
MW207.28 g/mol
LogP1.30
Rot. Bonds1

About (6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

(6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 121435453) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name(6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID121435453
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESC[C@H]1Cc2[nH]nc(C3CCCO3)c2CN1
InChIInChI=1S/C11H17N3O/c1-7-5-9-8(6-12-7)11(14-13-9)10-3-2-4-15-10/h7,10,12H,2-6H2,1H3,(H,13,14)/t7-,10?/m0/s1
InChIKeyZVNVHCDAWYRXOL-BYDSUWOYSA-N
XLogP1.30
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of (6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 121435453) is (6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for (6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for (6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is C[C@H]1Cc2[nH]nc(C3CCCO3)c2CN1.
What is the InChIKey of (6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is ZVNVHCDAWYRXOL-BYDSUWOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-5-9-8(6-12-7)11(14-13-9)10-3-2-4-15-10/h7,10,12H,2-6H2,1H3,(H,13,14)/t7-,10?/m0/s1.
What are the key properties of (6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
(6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 207.28 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 121435453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).