5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride

C9H17Cl2N3 — CID 154852994

IUPAC5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride
SMILESCC1(C)CNCC1c1ccn[nH]1.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-9(2)6-10-5-7(9)8-3-4-11-12-8;;/h3-4,7,10H,5-6H2,1-2H3,(H,11,12);2*1H
InChIKeyASLIIRJBWLXLDF-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.97
Rot. Bonds1

About 5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride

5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride (PubChem CID 154852994) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride.

Molecular Properties

Compound Name5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride
PubChem CID154852994
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride
SMILESCC1(C)CNCC1c1ccn[nH]1.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-9(2)6-10-5-7(9)8-3-4-11-12-8;;/h3-4,7,10H,5-6H2,1-2H3,(H,11,12);2*1H
InChIKeyASLIIRJBWLXLDF-UHFFFAOYSA-N
XLogP1.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride?
The IUPAC name of 5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride (CID 154852994) is 5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride.
What is the SMILES notation for 5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride?
The canonical SMILES for 5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride is CC1(C)CNCC1c1ccn[nH]1.Cl.Cl.
What is the InChIKey of 5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride?
The InChIKey is ASLIIRJBWLXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-9(2)6-10-5-7(9)8-3-4-11-12-8;;/h3-4,7,10H,5-6H2,1-2H3,(H,11,12);2*1H.
What are the key properties of 5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride?
5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole;dihydrochloride is sourced from PubChem (CID 154852994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).