N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine

C12H19N5 — CID 103014178

IUPACN-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCNCCc1cn(CCc2ccnn2C)cn1
InChIInChI=1S/C12H19N5/c1-13-6-3-11-9-17(10-14-11)8-5-12-4-7-15-16(12)2/h4,7,9-10,13H,3,5-6,8H2,1-2H3
InChIKeyLIAFBAPMAMPTMO-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.62
Rot. Bonds6

About N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine

N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 103014178) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
PubChem CID103014178
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCNCCc1cn(CCc2ccnn2C)cn1
InChIInChI=1S/C12H19N5/c1-13-6-3-11-9-17(10-14-11)8-5-12-4-7-15-16(12)2/h4,7,9-10,13H,3,5-6,8H2,1-2H3
InChIKeyLIAFBAPMAMPTMO-UHFFFAOYSA-N
XLogP0.62
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[1-(2-pyridin-4-ylethyl)imidazol-4-yl]ethanamine
CID 79985908
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106720525
4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
CID 79985168
N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine
CID 79985899
N-methyl-2-[1-(2-propan-2-yloxyethyl)imidazol-4-yl]ethanamine
CID 79985732
N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 112651274
2-[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
CID 79985411
N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79985317
N-methyl-1-[2-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methanamine
CID 103015761
2-(1-methylpyrazol-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 114143932
N-methyl-2-[1-(naphthalen-1-ylmethyl)imidazol-4-yl]ethanamine
CID 79985728
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 103008087

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine (CID 103014178) is N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine is CNCCc1cn(CCc2ccnn2C)cn1.
What is the InChIKey of N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is LIAFBAPMAMPTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-13-6-3-11-9-17(10-14-11)8-5-12-4-7-15-16(12)2/h4,7,9-10,13H,3,5-6,8H2,1-2H3.
What are the key properties of N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 233.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 103014178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).