1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine

C10H15N3O — CID 176890062

IUPAC1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine
SMILESc1nn(C2COC2)c2c1CNCCC2
InChIInChI=1S/C10H15N3O/c1-2-10-8(4-11-3-1)5-12-13(10)9-6-14-7-9/h5,9,11H,1-4,6-7H2
InChIKeyLPBKFTWVKDOTJB-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.49
Rot. Bonds1

About 1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine

1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine (PubChem CID 176890062) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine.

Molecular Properties

Compound Name1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine
PubChem CID176890062
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine
SMILESc1nn(C2COC2)c2c1CNCCC2
InChIInChI=1S/C10H15N3O/c1-2-10-8(4-11-3-1)5-12-13(10)9-6-14-7-9/h5,9,11H,1-4,6-7H2
InChIKeyLPBKFTWVKDOTJB-UHFFFAOYSA-N
XLogP0.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105460739
1-cyclopentyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105445512
1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105437695
1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 105459588
1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 134828426
1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine
CID 171921881
1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride
CID 162423020
5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine
CID 68694121
N,N-dimethyl-2-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)ethanamine
CID 82586331
2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
CID 128883392
1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384395
5-[4-(oxetan-3-yl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 146398294

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine?
The IUPAC name of 1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine (CID 176890062) is 1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine.
What is the SMILES notation for 1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine?
The canonical SMILES for 1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine is c1nn(C2COC2)c2c1CNCCC2.
What is the InChIKey of 1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine?
The InChIKey is LPBKFTWVKDOTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-10-8(4-11-3-1)5-12-13(10)9-6-14-7-9/h5,9,11H,1-4,6-7H2.
What are the key properties of 1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine?
1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine has a molecular weight of 193.25 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine is sourced from PubChem (CID 176890062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).