N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine

C11H17N5 — CID 82876706

IUPACN-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1nccn1C
InChIInChI=1S/C11H17N5/c1-12-10(11-13-5-7-15(11)2)8-9-4-6-16(3)14-9/h4-7,10,12H,8H2,1-3H3
InChIKeyDMHGXYQVYFBIFG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.66
Rot. Bonds4

About N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine

N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 82876706) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID82876706
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1nccn1C
InChIInChI=1S/C11H17N5/c1-12-10(11-13-5-7-15(11)2)8-9-4-6-16(3)14-9/h4-7,10,12H,8H2,1-3H3
InChIKeyDMHGXYQVYFBIFG-UHFFFAOYSA-N
XLogP0.66
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine (CID 82876706) is N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)c1nccn1C.
What is the InChIKey of N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is DMHGXYQVYFBIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-12-10(11-13-5-7-15(11)2)8-9-4-6-16(3)14-9/h4-7,10,12H,8H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82876706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).