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

C16H21N3O — CID 95582688

IUPAC(2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(C[C@H](O)Cn1cccn1)C1Cc2ccccc2C1
InChIInChI=1S/C16H21N3O/c1-18(11-16(20)12-19-8-4-7-17-19)15-9-13-5-2-3-6-14(13)10-15/h2-8,15-16,20H,9-12H2,1H3/t16-/m0/s1
InChIKeyRBKMJRVBASMDAO-INIZCTEOSA-N
MW271.36 g/mol
LogP1.34
Rot. Bonds5

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

(2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 95582688) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID95582688
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(C[C@H](O)Cn1cccn1)C1Cc2ccccc2C1
InChIInChI=1S/C16H21N3O/c1-18(11-16(20)12-19-8-4-7-17-19)15-9-13-5-2-3-6-14(13)10-15/h2-8,15-16,20H,9-12H2,1H3/t16-/m0/s1
InChIKeyRBKMJRVBASMDAO-INIZCTEOSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol (CID 95582688) is (2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol is CN(C[C@H](O)Cn1cccn1)C1Cc2ccccc2C1.
What is the InChIKey of (2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is RBKMJRVBASMDAO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18(11-16(20)12-19-8-4-7-17-19)15-9-13-5-2-3-6-14(13)10-15/h2-8,15-16,20H,9-12H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 95582688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).