(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride

C10H19Cl2N3O — CID 91647714

IUPAC(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-6-9(7(2)13(3)12-6)10-8(11)4-5-14-10;;/h8,10H,4-5,11H2,1-3H3;2*1H/t8-,10-;;/m0../s1
InChIKeyQYXRFDRTPDRUGO-NKPZAKOOSA-N
MW268.19 g/mol
LogP1.67
Rot. Bonds1

About (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride

(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride (PubChem CID 91647714) has the molecular formula C10H19Cl2N3O and a molecular weight of 268.19 g/mol. Its IUPAC name is (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
PubChem CID91647714
Molecular FormulaC10H19Cl2N3O
Molecular Weight268.19 g/mol
Exact Mass267.09
IUPAC Name(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-6-9(7(2)13(3)12-6)10-8(11)4-5-14-10;;/h8,10H,4-5,11H2,1-3H3;2*1H/t8-,10-;;/m0../s1
InChIKeyQYXRFDRTPDRUGO-NKPZAKOOSA-N
XLogP1.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The IUPAC name of (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride (CID 91647714) is (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The canonical SMILES for (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N.Cl.Cl.
What is the InChIKey of (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The InChIKey is QYXRFDRTPDRUGO-NKPZAKOOSA-N. The full InChI is InChI=1S/C10H17N3O.2ClH/c1-6-9(7(2)13(3)12-6)10-8(11)4-5-14-10;;/h8,10H,4-5,11H2,1-3H3;2*1H/t8-,10-;;/m0../s1.
What are the key properties of (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride has a molecular weight of 268.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 91647714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).