(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride

C8H15Cl2N3O — CID 86775431

IUPAC(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCl.Cl.Cn1cc([C@H]2OCC[C@@H]2N)cn1
InChIInChI=1S/C8H13N3O.2ClH/c1-11-5-6(4-10-11)8-7(9)2-3-12-8;;/h4-5,7-8H,2-3,9H2,1H3;2*1H/t7-,8+;;/m0../s1
InChIKeyCLNAEIWBJREGGX-OXOJUWDDSA-N
MW240.13 g/mol
LogP1.05
Rot. Bonds1

About (2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride

(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride (PubChem CID 86775431) has the molecular formula C8H15Cl2N3O and a molecular weight of 240.13 g/mol. Its IUPAC name is (2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
PubChem CID86775431
Molecular FormulaC8H15Cl2N3O
Molecular Weight240.13 g/mol
Exact Mass239.06
IUPAC Name(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCl.Cl.Cn1cc([C@H]2OCC[C@@H]2N)cn1
InChIInChI=1S/C8H13N3O.2ClH/c1-11-5-6(4-10-11)8-7(9)2-3-12-8;;/h4-5,7-8H,2-3,9H2,1H3;2*1H/t7-,8+;;/m0../s1
InChIKeyCLNAEIWBJREGGX-OXOJUWDDSA-N
XLogP1.05
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
CID 122155807
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
(2S,3R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxolan-3-amine
CID 138039441
2-(1-methylpyrazol-4-yl)oxolane-3-carbaldehyde
CID 130815204
1-cyclopropyl-N-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]methanamine
CID 97217161
2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
CID 165450030
(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
CID 122164049
N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
CID 79365651
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 128887292
(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine
CID 122164050
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
N-[(3-methylimidazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761416

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The IUPAC name of (2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride (CID 86775431) is (2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The canonical SMILES for (2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride is Cl.Cl.Cn1cc([C@H]2OCC[C@@H]2N)cn1.
What is the InChIKey of (2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The InChIKey is CLNAEIWBJREGGX-OXOJUWDDSA-N. The full InChI is InChI=1S/C8H13N3O.2ClH/c1-11-5-6(4-10-11)8-7(9)2-3-12-8;;/h4-5,7-8H,2-3,9H2,1H3;2*1H/t7-,8+;;/m0../s1.
What are the key properties of (2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride has a molecular weight of 240.13 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 86775431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).