[5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol

C17H25N3O3 — CID 95778532

IUPAC[5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1ccc(CO)o1
InChIInChI=1S/C17H25N3O3/c1-11-16(12(2)20(3)19-11)17-13(6-7-22-17)8-18-9-14-4-5-15(10-21)23-14/h4-5,13,17-18,21H,6-10H2,1-3H3/t13-,17+/m1/s1
InChIKeyBGMAQPUDFIHDNO-DYVFJYSZSA-N
MW319.41 g/mol
LogP1.99
Rot. Bonds6

About [5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol

[5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol (PubChem CID 95778532) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is [5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol
PubChem CID95778532
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name[5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1ccc(CO)o1
InChIInChI=1S/C17H25N3O3/c1-11-16(12(2)20(3)19-11)17-13(6-7-22-17)8-18-9-14-4-5-15(10-21)23-14/h4-5,13,17-18,21H,6-10H2,1-3H3/t13-,17+/m1/s1
InChIKeyBGMAQPUDFIHDNO-DYVFJYSZSA-N
XLogP1.99
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(thiophen-2-ylmethyl)-1-[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778536
N-(thiophen-2-ylmethyl)-1-[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778537
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778546
N-(1,3-benzodioxol-4-ylmethyl)-1-[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778524
N-(1H-indol-4-ylmethyl)-1-[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96510800
(1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461370
(1S)-1-(2,4-difluorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 96511973
(1R)-1-(2,4-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461358
(1R)-1-(2,4-difluorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461359
2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494
2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 136582764
(1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461360

Frequently Asked Questions

What is the IUPAC name of [5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol (CID 95778532) is [5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1ccc(CO)o1.
What is the InChIKey of [5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol?
The InChIKey is BGMAQPUDFIHDNO-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-16(12(2)20(3)19-11)17-13(6-7-22-17)8-18-9-14-4-5-15(10-21)23-14/h4-5,13,17-18,21H,6-10H2,1-3H3/t13-,17+/m1/s1.
What are the key properties of [5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol?
[5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol has a molecular weight of 319.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 95778532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).