1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride

C8H15Cl2N3 — CID 121215503

IUPAC1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride
SMILESCl.Cl.Cn1cc(C2CCNC2)cn1
InChIInChI=1S/C8H13N3.2ClH/c1-11-6-8(5-10-11)7-2-3-9-4-7;;/h5-7,9H,2-4H2,1H3;2*1H
InChIKeyQKXKKJXGUPAHOD-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.34
Rot. Bonds1

About 1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride

1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride (PubChem CID 121215503) has the molecular formula C8H15Cl2N3 and a molecular weight of 224.13 g/mol. Its IUPAC name is 1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride.

Molecular Properties

Compound Name1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride
PubChem CID121215503
Molecular FormulaC8H15Cl2N3
Molecular Weight224.13 g/mol
Exact Mass223.06
IUPAC Name1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride
SMILESCl.Cl.Cn1cc(C2CCNC2)cn1
InChIInChI=1S/C8H13N3.2ClH/c1-11-6-8(5-10-11)7-2-3-9-4-7;;/h5-7,9H,2-4H2,1H3;2*1H
InChIKeyQKXKKJXGUPAHOD-UHFFFAOYSA-N
XLogP1.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride?
The IUPAC name of 1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride (CID 121215503) is 1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride.
What is the SMILES notation for 1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride?
The canonical SMILES for 1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride is Cl.Cl.Cn1cc(C2CCNC2)cn1.
What is the InChIKey of 1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride?
The InChIKey is QKXKKJXGUPAHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2ClH/c1-11-6-8(5-10-11)7-2-3-9-4-7;;/h5-7,9H,2-4H2,1H3;2*1H.
What are the key properties of 1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride?
1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride has a molecular weight of 224.13 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyrrolidin-3-ylpyrazole;dihydrochloride is sourced from PubChem (CID 121215503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).