N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine

C15H25N5 — CID 102812906

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)c1cn(C)nc1CC
InChIInChI=1S/C15H25N5/c1-5-13-12(11-20(4)18-13)14(16-6-2)7-8-15-17-9-10-19(15)3/h9-11,14,16H,5-8H2,1-4H3
InChIKeyVDFXRLQQXQRQJO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.00
Rot. Bonds7

About N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine

N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 102812906) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID102812906
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)c1cn(C)nc1CC
InChIInChI=1S/C15H25N5/c1-5-13-12(11-20(4)18-13)14(16-6-2)7-8-15-17-9-10-19(15)3/h9-11,14,16H,5-8H2,1-4H3
InChIKeyVDFXRLQQXQRQJO-UHFFFAOYSA-N
XLogP2.00
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105187699
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
CID 102812165
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 102812485
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 102812630
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 102812405
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107985466
N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 105049697
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 105187670
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 112549489
[1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026081

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 102812906) is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine is CCNC(CCc1nccn1C)c1cn(C)nc1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is VDFXRLQQXQRQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-13-12(11-20(4)18-13)14(16-6-2)7-8-15-17-9-10-19(15)3/h9-11,14,16H,5-8H2,1-4H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 102812906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).