(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride

C11H19Cl2N3O — CID 122164219

IUPAC(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1
InChIInChI=1S/C11H17N3O.2ClH/c12-9-4-6-15-11(9)10-3-5-13-14(10)7-8-1-2-8;;/h3,5,8-9,11H,1-2,4,6-7,12H2;2*1H/t9-,11-;;/m1../s1
InChIKeyZDVFLJQKUGREEP-XFQLJVDGSA-N
MW280.20 g/mol
LogP1.93
Rot. Bonds3

About (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride

(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride (PubChem CID 122164219) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride
PubChem CID122164219
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1
InChIInChI=1S/C11H17N3O.2ClH/c12-9-4-6-15-11(9)10-3-5-13-14(10)7-8-1-2-8;;/h3,5,8-9,11H,1-2,4,6-7,12H2;2*1H/t9-,11-;;/m1../s1
InChIKeyZDVFLJQKUGREEP-XFQLJVDGSA-N
XLogP1.93
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride?
The IUPAC name of (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride (CID 122164219) is (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride.
What is the SMILES notation for (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride?
The canonical SMILES for (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride is Cl.Cl.N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1.
What is the InChIKey of (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride?
The InChIKey is ZDVFLJQKUGREEP-XFQLJVDGSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c12-9-4-6-15-11(9)10-3-5-13-14(10)7-8-1-2-8;;/h3,5,8-9,11H,1-2,4,6-7,12H2;2*1H/t9-,11-;;/m1../s1.
What are the key properties of (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride?
(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 122164219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).