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

C16H21N3O — CID 56815110

IUPAC1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(CC(O)Cn1cccn1)C1CCc2ccccc21
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
InChIKeyYYTDSSQQHHKWDB-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.86
Rot. Bonds5

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

1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 56815110) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID56815110
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(CC(O)Cn1cccn1)C1CCc2ccccc21
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
InChIKeyYYTDSSQQHHKWDB-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol (CID 56815110) is 1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol is CN(CC(O)Cn1cccn1)C1CCc2ccccc21.
What is the InChIKey of 1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is YYTDSSQQHHKWDB-UHFFFAOYSA-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.
What are the key properties of 1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol?
1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-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 1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 56815110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).