[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride

C9H17Cl2N3O — CID 86811701

IUPAC[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride
SMILESCl.Cl.Cn1nccc1[C@@H]1OCC[C@H]1CN
InChIInChI=1S/C9H15N3O.2ClH/c1-12-8(2-4-11-12)9-7(6-10)3-5-13-9;;/h2,4,7,9H,3,5-6,10H2,1H3;2*1H/t7-,9+;;/m0../s1
InChIKeyFJDIDAKOEDWZKQ-CJGWJYNLSA-N
MW254.16 g/mol
LogP1.30
Rot. Bonds2

About [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride

[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride (PubChem CID 86811701) has the molecular formula C9H17Cl2N3O and a molecular weight of 254.16 g/mol. Its IUPAC name is [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride
PubChem CID86811701
Molecular FormulaC9H17Cl2N3O
Molecular Weight254.16 g/mol
Exact Mass253.07
IUPAC Name[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride
SMILESCl.Cl.Cn1nccc1[C@@H]1OCC[C@H]1CN
InChIInChI=1S/C9H15N3O.2ClH/c1-12-8(2-4-11-12)9-7(6-10)3-5-13-9;;/h2,4,7,9H,3,5-6,10H2,1H3;2*1H/t7-,9+;;/m0../s1
InChIKeyFJDIDAKOEDWZKQ-CJGWJYNLSA-N
XLogP1.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride?
The IUPAC name of [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride (CID 86811701) is [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride?
The canonical SMILES for [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride is Cl.Cl.Cn1nccc1[C@@H]1OCC[C@H]1CN.
What is the InChIKey of [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride?
The InChIKey is FJDIDAKOEDWZKQ-CJGWJYNLSA-N. The full InChI is InChI=1S/C9H15N3O.2ClH/c1-12-8(2-4-11-12)9-7(6-10)3-5-13-9;;/h2,4,7,9H,3,5-6,10H2,1H3;2*1H/t7-,9+;;/m0../s1.
What are the key properties of [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride?
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride has a molecular weight of 254.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 86811701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).