(3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol

C16H21N3O2 — CID 77095023

IUPAC(3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol
SMILESCN(Cc1ccccc1Cn1cccn1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C16H21N3O2/c1-18(15-11-21-12-16(15)20)9-13-5-2-3-6-14(13)10-19-8-4-7-17-19/h2-8,15-16,20H,9-12H2,1H3/t15-,16-/m0/s1
InChIKeyWVDMATFUDVDXDU-HOTGVXAUSA-N
MW287.36 g/mol
LogP1.12
Rot. Bonds5

About (3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol

(3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol (PubChem CID 77095023) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol
PubChem CID77095023
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol
SMILESCN(Cc1ccccc1Cn1cccn1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C16H21N3O2/c1-18(15-11-21-12-16(15)20)9-13-5-2-3-6-14(13)10-19-8-4-7-17-19/h2-8,15-16,20H,9-12H2,1H3/t15-,16-/m0/s1
InChIKeyWVDMATFUDVDXDU-HOTGVXAUSA-N
XLogP1.12
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol (CID 77095023) is (3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol is CN(Cc1ccccc1Cn1cccn1)[C@H]1COC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol?
The InChIKey is WVDMATFUDVDXDU-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18(15-11-21-12-16(15)20)9-13-5-2-3-6-14(13)10-19-8-4-7-17-19/h2-8,15-16,20H,9-12H2,1H3/t15-,16-/m0/s1.
What are the key properties of (3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol?
(3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol has a molecular weight of 287.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]amino]oxolan-3-ol is sourced from PubChem (CID 77095023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).