4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride

C10H19Cl2N3 — CID 119057048

IUPAC4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride
SMILESCl.Cl.Cn1cc(C2CNCC2(C)C)cn1
InChIInChI=1S/C10H17N3.2ClH/c1-10(2)7-11-5-9(10)8-4-12-13(3)6-8;;/h4,6,9,11H,5,7H2,1-3H3;2*1H
InChIKeyURLSEPZSDVFTER-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.98
Rot. Bonds1

About 4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride

4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride (PubChem CID 119057048) has the molecular formula C10H19Cl2N3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride.

Molecular Properties

Compound Name4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride
PubChem CID119057048
Molecular FormulaC10H19Cl2N3
Molecular Weight252.19 g/mol
Exact Mass251.10
IUPAC Name4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride
SMILESCl.Cl.Cn1cc(C2CNCC2(C)C)cn1
InChIInChI=1S/C10H17N3.2ClH/c1-10(2)7-11-5-9(10)8-4-12-13(3)6-8;;/h4,6,9,11H,5,7H2,1-3H3;2*1H
InChIKeyURLSEPZSDVFTER-UHFFFAOYSA-N
XLogP1.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride?
The IUPAC name of 4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride (CID 119057048) is 4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride.
What is the SMILES notation for 4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride?
The canonical SMILES for 4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride is Cl.Cl.Cn1cc(C2CNCC2(C)C)cn1.
What is the InChIKey of 4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride?
The InChIKey is URLSEPZSDVFTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.2ClH/c1-10(2)7-11-5-9(10)8-4-12-13(3)6-8;;/h4,6,9,11H,5,7H2,1-3H3;2*1H.
What are the key properties of 4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride?
4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride has a molecular weight of 252.19 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpyrrolidin-3-yl)-1-methylpyrazole;dihydrochloride is sourced from PubChem (CID 119057048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).