1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol

C17H24N4O2 — CID 166672194

IUPAC1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
SMILESCn1nccc1COc1ccc2c(c1)CCN(CC(O)CN)C2
InChIInChI=1S/C17H24N4O2/c1-20-15(4-6-19-20)12-23-17-3-2-14-10-21(11-16(22)9-18)7-5-13(14)8-17/h2-4,6,8,16,22H,5,7,9-12,18H2,1H3
InChIKeyKFVINNMPSGILPB-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.68
Rot. Bonds6

About 1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol

1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol (PubChem CID 166672194) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
PubChem CID166672194
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
SMILESCn1nccc1COc1ccc2c(c1)CCN(CC(O)CN)C2
InChIInChI=1S/C17H24N4O2/c1-20-15(4-6-19-20)12-23-17-3-2-14-10-21(11-16(22)9-18)7-5-13(14)8-17/h2-4,6,8,16,22H,5,7,9-12,18H2,1H3
InChIKeyKFVINNMPSGILPB-UHFFFAOYSA-N
XLogP0.68
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol with MolForge

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Related Compounds

2-(cyclobutylmethyl)-N-[(2S)-2-hydroxy-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 158892245
2-(cyclobutylamino)-N-[2-hydroxy-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 166672362
tert-butyl 6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 158892244
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 155535049
1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 111106106
1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-propan-2-yloxypropan-2-ol
CID 110909734
tert-butyl N-[3-[5-chloro-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxypropyl]carbamate
CID 166672159
N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide
CID 162458527
(2S)-1-amino-3-[6-[(3-methyltriazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol;tert-butyl (4S)-5-chloro-4-hydroxypentanoate;tert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (4S)-4-hydroxy-5-[6-[(3-methyltriazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]pentanoate;tert-butyl 6-[(3-methyltriazol-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-(chloromethyl)-1-methyltriazole;6-[(3-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline;sulfane
CID 159708937
6-chloro-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyrimidine-4-carboxamide
CID 166672275
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethoxyphenoxy)propan-2-ol
CID 2381176

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?
The IUPAC name of 1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol (CID 166672194) is 1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?
The canonical SMILES for 1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol is Cn1nccc1COc1ccc2c(c1)CCN(CC(O)CN)C2.
What is the InChIKey of 1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?
The InChIKey is KFVINNMPSGILPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20-15(4-6-19-20)12-23-17-3-2-14-10-21(11-16(22)9-18)7-5-13(14)8-17/h2-4,6,8,16,22H,5,7,9-12,18H2,1H3.
What are the key properties of 1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?
1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol has a molecular weight of 316.41 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol is sourced from PubChem (CID 166672194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).