(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol

C16H21N3O — CID 124812147

IUPAC(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(C[C@H](O)Cn1cccn1)[C@H]1CCc2ccccc21
InChIInChI=1S/C16H21N3O/c1-18(11-14(20)12-19-10-4-9-17-19)16-8-7-13-5-2-3-6-15(13)16/h2-6,9-10,14,16,20H,7-8,11-12H2,1H3/t14-,16-/m0/s1
InChIKeyYYTDSSQQHHKWDB-HOCLYGCPSA-N
MW271.36 g/mol
LogP1.86
Rot. Bonds5

About (2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 124812147) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID124812147
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(C[C@H](O)Cn1cccn1)[C@H]1CCc2ccccc21
InChIInChI=1S/C16H21N3O/c1-18(11-14(20)12-19-10-4-9-17-19)16-8-7-13-5-2-3-6-15(13)16/h2-6,9-10,14,16,20H,7-8,11-12H2,1H3/t14-,16-/m0/s1
InChIKeyYYTDSSQQHHKWDB-HOCLYGCPSA-N
XLogP1.86
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol with MolForge

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Related Compounds

1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 56815110
1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol
CID 126839227
(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 96998183
(2R)-1-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 124827378
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 47020638
(2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 94174337
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
(2S)-1-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 124608056
(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 95610890
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 94177110
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 10511981

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol (CID 124812147) is (2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol is CN(C[C@H](O)Cn1cccn1)[C@H]1CCc2ccccc21.
What is the InChIKey of (2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is YYTDSSQQHHKWDB-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18(11-14(20)12-19-10-4-9-17-19)16-8-7-13-5-2-3-6-15(13)16/h2-6,9-10,14,16,20H,7-8,11-12H2,1H3/t14-,16-/m0/s1.
What are the key properties of (2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 124812147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).