N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine

C16H27N3O2 — CID 96510805

IUPACN-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNC1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-11-15(12(2)19(3)18-11)16-13(4-9-21-16)10-17-14-5-7-20-8-6-14/h13-14,16-17H,4-10H2,1-3H3/t13-,16-/m0/s1
InChIKeyMLVVBTZKUMZKHW-BBRMVZONSA-N
MW293.41 g/mol
LogP1.88
Rot. Bonds4

About N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine

N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine (PubChem CID 96510805) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
PubChem CID96510805
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNC1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-11-15(12(2)19(3)18-11)16-13(4-9-21-16)10-17-14-5-7-20-8-6-14/h13-14,16-17H,4-10H2,1-3H3/t13-,16-/m0/s1
InChIKeyMLVVBTZKUMZKHW-BBRMVZONSA-N
XLogP1.88
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rac-((2R,3S)-2-(trimethyl-1H-pyrazol-4-yl)oxolan-3-yl)methanamine
CID 95970483
2,2-dimethyl-N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
CID 72124389
1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide
CID 164639678
5,6-dimethyl-2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyrazine-3-carboxamide
CID 127955643
(2R,3S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine
CID 129340538
1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol
CID 128993936
(2S)-1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol
CID 129506531
(2R)-1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol
CID 129506532
2-(3,3-difluorocyclobutyl)-N-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]acetamide
CID 137871467
N-[(2S*,4R*,6S*)-2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)-6-isobutyltetrahydro-2H-pyran-4-yl]acetamide
CID 50949227
4-(1-Ethyl-3-methoxymethyl-4-methyl-(1H)-pyrazol-5-yl)piperidine
CID 21912775
1,3-diethylspiro[4H-furo[3,4-c]pyrazole-6,4'-piperidine]
CID 21983935

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
The IUPAC name of N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine (CID 96510805) is N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine is Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNC1CCOCC1.
What is the InChIKey of N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
The InChIKey is MLVVBTZKUMZKHW-BBRMVZONSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11-15(12(2)19(3)18-11)16-13(4-9-21-16)10-17-14-5-7-20-8-6-14/h13-14,16-17H,4-10H2,1-3H3/t13-,16-/m0/s1.
What are the key properties of N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine has a molecular weight of 293.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine is sourced from PubChem (CID 96510805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).