1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride

C8H16Cl2N4 — CID 102565516

IUPAC1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(N)c(N2CCCC2)n1
InChIInChI=1S/C8H14N4.2ClH/c1-11-6-7(9)8(10-11)12-4-2-3-5-12;;/h6H,2-5,9H2,1H3;2*1H
InChIKeyZAQIQEHSQOSBSX-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.45
Rot. Bonds1

About 1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride

1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride (PubChem CID 102565516) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride
PubChem CID102565516
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(N)c(N2CCCC2)n1
InChIInChI=1S/C8H14N4.2ClH/c1-11-6-7(9)8(10-11)12-4-2-3-5-12;;/h6H,2-5,9H2,1H3;2*1H
InChIKeyZAQIQEHSQOSBSX-UHFFFAOYSA-N
XLogP1.45
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride?
The IUPAC name of 1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride (CID 102565516) is 1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for 1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride is Cl.Cl.Cn1cc(N)c(N2CCCC2)n1.
What is the InChIKey of 1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride?
The InChIKey is ZAQIQEHSQOSBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c1-11-6-7(9)8(10-11)12-4-2-3-5-12;;/h6H,2-5,9H2,1H3;2*1H.
What are the key properties of 1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride?
1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 102565516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).