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

C12H19N3O — CID 118489249

IUPAC6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCC(C)c1n[nH]c2c1CCN(C1COC1)C2
InChIInChI=1S/C12H19N3O/c1-8(2)12-10-3-4-15(9-6-16-7-9)5-11(10)13-14-12/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyZKKCNMZQTFSZLP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.29
Rot. Bonds2

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

6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 118489249) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID118489249
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCC(C)c1n[nH]c2c1CCN(C1COC1)C2
InChIInChI=1S/C12H19N3O/c1-8(2)12-10-3-4-15(9-6-16-7-9)5-11(10)13-14-12/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyZKKCNMZQTFSZLP-UHFFFAOYSA-N
XLogP1.29
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 118489249) is 6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is CC(C)c1n[nH]c2c1CCN(C1COC1)C2.
What is the InChIKey of 6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is ZKKCNMZQTFSZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)12-10-3-4-15(9-6-16-7-9)5-11(10)13-14-12/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 221.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 118489249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).