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

C12H19N3O — CID 118489294

IUPAC5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)c1n[nH]c2c1CN(C1COC1)CC2
InChIInChI=1S/C12H19N3O/c1-8(2)12-10-5-15(9-6-16-7-9)4-3-11(10)13-14-12/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyALHACKFLWZPOQA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.29
Rot. Bonds2

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

5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 118489294) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID118489294
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)c1n[nH]c2c1CN(C1COC1)CC2
InChIInChI=1S/C12H19N3O/c1-8(2)12-10-5-15(9-6-16-7-9)4-3-11(10)13-14-12/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyALHACKFLWZPOQA-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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Related Compounds

3-hexan-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
CID 134224571
1-(3-Butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 134224704
5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 99932735
3-Propan-2-yl-5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489263
3-Propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489371
3,3,3-Trifluoro-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol
CID 123800161
3-Isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 29893260
(3S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyloxolan-3-amine
CID 129623867
1,1,1-Trifluoro-3-[3-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-2-ol
CID 132366980
3-Methyl-4-[2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]morpholine
CID 137843583
3-{[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methyl}-4,5,6,7-tetrahydro-1H-indazole
CID 171704082
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine
CID 1215255

Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 118489294) is 5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)c1n[nH]c2c1CN(C1COC1)CC2.
What is the InChIKey of 5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is ALHACKFLWZPOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)12-10-5-15(9-6-16-7-9)4-3-11(10)13-14-12/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-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 5-(oxetan-3-yl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118489294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).