N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride

C11H22Cl2N4 — CID 119928529

IUPACN-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
SMILESCNCC1CCCN1CCn1cccn1.Cl.Cl
InChIInChI=1S/C11H20N4.2ClH/c1-12-10-11-4-2-6-14(11)8-9-15-7-3-5-13-15;;/h3,5,7,11-12H,2,4,6,8-10H2,1H3;2*1H
InChIKeyCNRKOQNBWVGXEA-UHFFFAOYSA-N
MW281.23 g/mol
LogP1.41
Rot. Bonds5

About N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride

N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride (PubChem CID 119928529) has the molecular formula C11H22Cl2N4 and a molecular weight of 281.23 g/mol. Its IUPAC name is N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
PubChem CID119928529
Molecular FormulaC11H22Cl2N4
Molecular Weight281.23 g/mol
Exact Mass280.12
IUPAC NameN-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
SMILESCNCC1CCCN1CCn1cccn1.Cl.Cl
InChIInChI=1S/C11H20N4.2ClH/c1-12-10-11-4-2-6-14(11)8-9-15-7-3-5-13-15;;/h3,5,7,11-12H,2,4,6,8-10H2,1H3;2*1H
InChIKeyCNRKOQNBWVGXEA-UHFFFAOYSA-N
XLogP1.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride?
The IUPAC name of N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride (CID 119928529) is N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride is CNCC1CCCN1CCn1cccn1.Cl.Cl.
What is the InChIKey of N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride?
The InChIKey is CNRKOQNBWVGXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4.2ClH/c1-12-10-11-4-2-6-14(11)8-9-15-7-3-5-13-15;;/h3,5,7,11-12H,2,4,6,8-10H2,1H3;2*1H.
What are the key properties of N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride?
N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride has a molecular weight of 281.23 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 119928529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).