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

C10H19Cl2N3O — CID 122155807

IUPAC(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2N)cn1.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-7(2)13-6-8(5-12-13)10-9(11)3-4-14-10;;/h5-7,9-10H,3-4,11H2,1-2H3;2*1H/t9-,10+;;/m1../s1
InChIKeyWZMWNTNNMACJHG-NKRBYZSKSA-N
MW268.19 g/mol
LogP2.10
Rot. Bonds2

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

(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride (PubChem CID 122155807) has the molecular formula C10H19Cl2N3O and a molecular weight of 268.19 g/mol. Its IUPAC name is (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
PubChem CID122155807
Molecular FormulaC10H19Cl2N3O
Molecular Weight268.19 g/mol
Exact Mass267.09
IUPAC Name(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2N)cn1.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-7(2)13-6-8(5-12-13)10-9(11)3-4-14-10;;/h5-7,9-10H,3-4,11H2,1-2H3;2*1H/t9-,10+;;/m1../s1
InChIKeyWZMWNTNNMACJHG-NKRBYZSKSA-N
XLogP2.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The IUPAC name of (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride (CID 122155807) is (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride.
What is the SMILES notation for (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The canonical SMILES for (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride is CC(C)n1cc([C@@H]2OCC[C@H]2N)cn1.Cl.Cl.
What is the InChIKey of (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The InChIKey is WZMWNTNNMACJHG-NKRBYZSKSA-N. The full InChI is InChI=1S/C10H17N3O.2ClH/c1-7(2)13-6-8(5-12-13)10-9(11)3-4-14-10;;/h5-7,9-10H,3-4,11H2,1-2H3;2*1H/t9-,10+;;/m1../s1.
What are the key properties of (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride has a molecular weight of 268.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 122155807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).