(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride

C11H19Cl2N3O — CID 122164221

IUPAC(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1
InChIInChI=1S/C11H17N3O.2ClH/c12-10-3-4-15-11(10)9-5-13-14(7-9)6-8-1-2-8;;/h5,7-8,10-11H,1-4,6,12H2;2*1H/t10-,11+;;/m1../s1
InChIKeyGKUGVMKIWIHNHP-OXPNAJOUSA-N
MW280.20 g/mol
LogP1.93
Rot. Bonds3

About (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride

(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride (PubChem CID 122164221) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride
PubChem CID122164221
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1
InChIInChI=1S/C11H17N3O.2ClH/c12-10-3-4-15-11(10)9-5-13-14(7-9)6-8-1-2-8;;/h5,7-8,10-11H,1-4,6,12H2;2*1H/t10-,11+;;/m1../s1
InChIKeyGKUGVMKIWIHNHP-OXPNAJOUSA-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 (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride?
The IUPAC name of (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride (CID 122164221) is (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride.
What is the SMILES notation for (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride?
The canonical SMILES for (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride is Cl.Cl.N[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1.
What is the InChIKey of (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride?
The InChIKey is GKUGVMKIWIHNHP-OXPNAJOUSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c12-10-3-4-15-11(10)9-5-13-14(7-9)6-8-1-2-8;;/h5,7-8,10-11H,1-4,6,12H2;2*1H/t10-,11+;;/m1../s1.
What are the key properties of (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride?
(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-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 (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 122164221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).