1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol

C18H23N3O — CID 126808771

IUPAC1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol
SMILESOC(CN1Cc2ccccc2C2(CCC2)C1)Cn1cccn1
InChIInChI=1S/C18H23N3O/c22-16(13-21-10-4-9-19-21)12-20-11-15-5-1-2-6-17(15)18(14-20)7-3-8-18/h1-2,4-6,9-10,16,22H,3,7-8,11-14H2
InChIKeyYZMPVWNREMYEEF-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.18
Rot. Bonds4

About 1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol

1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol (PubChem CID 126808771) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol
PubChem CID126808771
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol
SMILESOC(CN1Cc2ccccc2C2(CCC2)C1)Cn1cccn1
InChIInChI=1S/C18H23N3O/c22-16(13-21-10-4-9-19-21)12-20-11-15-5-1-2-6-17(15)18(14-20)7-3-8-18/h1-2,4-6,9-10,16,22H,3,7-8,11-14H2
InChIKeyYZMPVWNREMYEEF-UHFFFAOYSA-N
XLogP2.18
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol with MolForge

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Related Compounds

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 94177110
(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94393943
1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 60500592
1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053104
1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 102538343
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426117
1-(3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 132970652
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053109
(3S)-2-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94032289
(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95314172
(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-4-hydroxy-5-spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-ylpentan-1-one
CID 161377298
(2R)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94393976

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol?
The IUPAC name of 1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol (CID 126808771) is 1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol.
What is the SMILES notation for 1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol?
The canonical SMILES for 1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol is OC(CN1Cc2ccccc2C2(CCC2)C1)Cn1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol?
The InChIKey is YZMPVWNREMYEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-16(13-21-10-4-9-19-21)12-20-11-15-5-1-2-6-17(15)18(14-20)7-3-8-18/h1-2,4-6,9-10,16,22H,3,7-8,11-14H2.
What are the key properties of 1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol?
1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol is sourced from PubChem (CID 126808771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).