1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol

C15H19N3O2 — CID 132970652

IUPAC1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CN1CCOCc2ccccc21)Cn1cccn1
InChIInChI=1S/C15H19N3O2/c19-14(11-18-7-3-6-16-18)10-17-8-9-20-12-13-4-1-2-5-15(13)17/h1-7,14,19H,8-12H2
InChIKeyOPAIVXXFDAQTTN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.28
Rot. Bonds4

About 1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol

1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 132970652) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol
PubChem CID132970652
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CN1CCOCc2ccccc21)Cn1cccn1
InChIInChI=1S/C15H19N3O2/c19-14(11-18-7-3-6-16-18)10-17-8-9-20-12-13-4-1-2-5-15(13)17/h1-7,14,19H,8-12H2
InChIKeyOPAIVXXFDAQTTN-UHFFFAOYSA-N
XLogP1.28
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 94177110
1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3,5-dihydro-2H-4,1-benzoxazepine
CID 126796727
(3S)-2-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94032289
(2R)-N-[(2-morpholin-4-ylphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95275011
(2R)-1-[(4S)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-3-pyrazol-1-ylpropan-2-ol
CID 98792881
(2R)-1-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124786448
(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94176327
(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94393943
1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol
CID 126808771
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087349
1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053104
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90241538

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol (CID 132970652) is 1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol is OC(CN1CCOCc2ccccc21)Cn1cccn1.
What is the InChIKey of 1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is OPAIVXXFDAQTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14(11-18-7-3-6-16-18)10-17-8-9-20-12-13-4-1-2-5-15(13)17/h1-7,14,19H,8-12H2.
What are the key properties of 1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 273.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 132970652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).