[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine

C11H19N3O — CID 95970485

IUPAC[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
SMILESCc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN
InChIInChI=1S/C11H19N3O/c1-7-10(8(2)14(3)13-7)11-9(6-12)4-5-15-11/h9,11H,4-6,12H2,1-3H3/t9-,11-/m1/s1
InChIKeyULNUKJVDCAEMRH-MWLCHTKSSA-N
MW209.29 g/mol
LogP1.07
Rot. Bonds2

About [(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine

[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine (PubChem CID 95970485) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
PubChem CID95970485
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
SMILESCc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN
InChIInChI=1S/C11H19N3O/c1-7-10(8(2)14(3)13-7)11-9(6-12)4-5-15-11/h9,11H,4-6,12H2,1-3H3/t9-,11-/m1/s1
InChIKeyULNUKJVDCAEMRH-MWLCHTKSSA-N
XLogP1.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-((2R,3S)-2-(trimethyl-1H-pyrazol-4-yl)oxolan-3-yl)methanamine
CID 95970483
rac-(2R,3S)-2-(1,5-dimethyl-1H-pyrazol-4-yl)oxolan-3-amine dihydrochloride
CID 126791059
2,2-dimethyl-N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
CID 72124389
rac-(2R,3S)-2-(1,5-dimethyl-1H-pyrazol-4-yl)oxolan-3-amine
CID 124512037
1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide
CID 164639678
Di-(1,3,5-trimethylpyrazol-4-yl)dimethyl ether
CID 129769010
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
4-(1-Ethyl-3-methoxymethyl-4-methyl-(1H)-pyrazol-5-yl)piperidine
CID 21912775
2,3-diethylspiro[4H-furo[3,4-c]pyrazole-6,4'-piperidine]
CID 21984001

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine?
The IUPAC name of [(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine (CID 95970485) is [(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine is Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN.
What is the InChIKey of [(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine?
The InChIKey is ULNUKJVDCAEMRH-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7-10(8(2)14(3)13-7)11-9(6-12)4-5-15-11/h9,11H,4-6,12H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of [(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine?
[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 95970485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).