(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol

C15H19N3O — CID 94177110

IUPAC(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](CN1CCc2ccccc2C1)Cn1cccn1
InChIInChI=1S/C15H19N3O/c19-15(12-18-8-3-7-16-18)11-17-9-6-13-4-1-2-5-14(13)10-17/h1-5,7-8,15,19H,6,9-12H2/t15-/m1/s1
InChIKeyXSKJGNYIFFHOKJ-OAHLLOKOSA-N
MW257.34 g/mol
LogP1.30
Rot. Bonds4

About (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 94177110) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
PubChem CID94177110
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](CN1CCc2ccccc2C1)Cn1cccn1
InChIInChI=1S/C15H19N3O/c19-15(12-18-8-3-7-16-18)11-17-9-6-13-4-1-2-5-14(13)10-17/h1-5,7-8,15,19H,6,9-12H2/t15-/m1/s1
InChIKeyXSKJGNYIFFHOKJ-OAHLLOKOSA-N
XLogP1.30
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-pyrrol-1-ylpyrazol-1-yl)propan-2-ol
CID 97243264
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426117
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-phenylpyrazol-1-yl)propan-2-ol
CID 109411582
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol
CID 167840449
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 109411205
1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol
CID 126808771
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97088027
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol
CID 97327110
1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-2-ol
CID 75462668
(2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95135126
1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053104

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol (CID 94177110) is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol is O[C@H](CN1CCc2ccccc2C1)Cn1cccn1.
What is the InChIKey of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is XSKJGNYIFFHOKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15(12-18-8-3-7-16-18)11-17-9-6-13-4-1-2-5-14(13)10-17/h1-5,7-8,15,19H,6,9-12H2/t15-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 257.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 94177110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).