N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C16H27N5 — CID 105148851

IUPACN-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCCn1ccnc1C(Cc1c(C)nn(C)c1C)NCC
InChIInChI=1S/C16H27N5/c1-6-9-21-10-8-18-16(21)15(17-7-2)11-14-12(3)19-20(5)13(14)4/h8,10,15,17H,6-7,9,11H2,1-5H3
InChIKeyXBBUBJGRFJGYMI-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.54
Rot. Bonds7

About N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105148851) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105148851
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCCn1ccnc1C(Cc1c(C)nn(C)c1C)NCC
InChIInChI=1S/C16H27N5/c1-6-9-21-10-8-18-16(21)15(17-7-2)11-14-12(3)19-20(5)13(14)4/h8,10,15,17H,6-7,9,11H2,1-5H3
InChIKeyXBBUBJGRFJGYMI-UHFFFAOYSA-N
XLogP2.54
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105148921
1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105098459
[1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105323452
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
N-ethyl-1-(1-propylimidazol-2-yl)nonan-1-amine
CID 115859033
N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 105148894
2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine
CID 65136269
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105104351
1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105143859
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105142748
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 102648848
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105183138

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105148851) is N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CCCn1ccnc1C(Cc1c(C)nn(C)c1C)NCC.
What is the InChIKey of N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is XBBUBJGRFJGYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-6-9-21-10-8-18-16(21)15(17-7-2)11-14-12(3)19-20(5)13(14)4/h8,10,15,17H,6-7,9,11H2,1-5H3.
What are the key properties of N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 289.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105148851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).