1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol

C20H22N4O — CID 167840449

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol
SMILESOC(CN1CCc2ccccc2C1)Cn1ccc(-c2ccccn2)n1
InChIInChI=1S/C20H22N4O/c25-18(14-23-11-8-16-5-1-2-6-17(16)13-23)15-24-12-9-20(22-24)19-7-3-4-10-21-19/h1-7,9-10,12,18,25H,8,11,13-15H2
InChIKeyVSNYPYNYGBACGC-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.36
Rot. Bonds5

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol (PubChem CID 167840449) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol
PubChem CID167840449
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol
SMILESOC(CN1CCc2ccccc2C1)Cn1ccc(-c2ccccn2)n1
InChIInChI=1S/C20H22N4O/c25-18(14-23-11-8-16-5-1-2-6-17(16)13-23)15-24-12-9-20(22-24)19-7-3-4-10-21-19/h1-7,9-10,12,18,25H,8,11,13-15H2
InChIKeyVSNYPYNYGBACGC-UHFFFAOYSA-N
XLogP2.36
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.36
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
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-pyrrol-1-ylpyrazol-1-yl)propan-2-ol
CID 97243264
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 109411205
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(4-pyridin-2-ylphenyl)oxiran-2-yl]amino]propan-2-ol
CID 139435330
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-phenylpyrazol-1-yl)propan-2-ol
CID 109411582
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylurea
CID 51084452
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]propan-2-ol
CID 47073574
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 152721306
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426117
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol
CID 97327110
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-ethylimidazol-2-yl)methoxy]propan-2-ol
CID 90335262

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol (CID 167840449) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol is OC(CN1CCc2ccccc2C1)Cn1ccc(-c2ccccn2)n1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol?
The InChIKey is VSNYPYNYGBACGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-18(14-23-11-8-16-5-1-2-6-17(16)13-23)15-24-12-9-20(22-24)19-7-3-4-10-21-19/h1-7,9-10,12,18,25H,8,11,13-15H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol has a molecular weight of 334.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 167840449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).