2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride

C9H17Cl2N3O — CID 165450030

IUPAC2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCc1nn(C)cc1C1OCCC1N.Cl.Cl
InChIInChI=1S/C9H15N3O.2ClH/c1-6-7(5-12(2)11-6)9-8(10)3-4-13-9;;/h5,8-9H,3-4,10H2,1-2H3;2*1H
InChIKeyRJZAAUDJHNBUFV-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.36
Rot. Bonds1

About 2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride

2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride (PubChem CID 165450030) has the molecular formula C9H17Cl2N3O and a molecular weight of 254.16 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
PubChem CID165450030
Molecular FormulaC9H17Cl2N3O
Molecular Weight254.16 g/mol
Exact Mass253.07
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCc1nn(C)cc1C1OCCC1N.Cl.Cl
InChIInChI=1S/C9H15N3O.2ClH/c1-6-7(5-12(2)11-6)9-8(10)3-4-13-9;;/h5,8-9H,3-4,10H2,1-2H3;2*1H
InChIKeyRJZAAUDJHNBUFV-UHFFFAOYSA-N
XLogP1.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride (CID 165450030) is 2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride is Cc1nn(C)cc1C1OCCC1N.Cl.Cl.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
The InChIKey is RJZAAUDJHNBUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.2ClH/c1-6-7(5-12(2)11-6)9-8(10)3-4-13-9;;/h5,8-9H,3-4,10H2,1-2H3;2*1H.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride?
2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride has a molecular weight of 254.16 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 165450030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).