1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine

C12H20N4O — CID 123668351

IUPAC1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine
SMILESCC(C)c1nn(C2COC2)c2c1CN(N)CC2
InChIInChI=1S/C12H20N4O/c1-8(2)12-10-5-15(13)4-3-11(10)16(14-12)9-6-17-7-9/h8-9H,3-7,13H2,1-2H3
InChIKeyLOWKAZJFUBQGHL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.81
Rot. Bonds2

About 1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine

1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine (PubChem CID 123668351) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine.

Molecular Properties

Compound Name1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine
PubChem CID123668351
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine
SMILESCC(C)c1nn(C2COC2)c2c1CN(N)CC2
InChIInChI=1S/C12H20N4O/c1-8(2)12-10-5-15(13)4-3-11(10)16(14-12)9-6-17-7-9/h8-9H,3-7,13H2,1-2H3
InChIKeyLOWKAZJFUBQGHL-UHFFFAOYSA-N
XLogP0.81
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4-({1-Methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL}methyl)morpholine
CID 53019666
4-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]morpholine
CID 124037456
5-(oxetan-3-yl)-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 58043792
1,3-Di(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586740
3,5-Dimethyl-1-(oxan-3-yl)-4-propylpyrazole
CID 91533931
1-(Oxetan-3-yl)-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 105477950
3-Ethyl-5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 117607497
5-(2-Methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489244
6-(Oxetan-3-yl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118489249
1,5-dimethyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 118489253
5-(Oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489294
3-Methyl-5-(oxetan-3-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118491637

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine?
The IUPAC name of 1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine (CID 123668351) is 1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine.
What is the SMILES notation for 1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine?
The canonical SMILES for 1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine is CC(C)c1nn(C2COC2)c2c1CN(N)CC2.
What is the InChIKey of 1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine?
The InChIKey is LOWKAZJFUBQGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)12-10-5-15(13)4-3-11(10)16(14-12)9-6-17-7-9/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine?
1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine has a molecular weight of 236.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine is sourced from PubChem (CID 123668351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).