N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine

C16H27N5 — CID 105149786

IUPACN-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CC)c1cc(CC)nn1CC
InChIInChI=1S/C16H27N5/c1-5-9-17-15(16-18-10-11-20(16)7-3)14-12-13(6-2)19-21(14)8-4/h10-12,15,17H,5-9H2,1-4H3
InChIKeyKHQPSNCOPJWUSD-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.77
Rot. Bonds8

About N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine

N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 105149786) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
PubChem CID105149786
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CC)c1cc(CC)nn1CC
InChIInChI=1S/C16H27N5/c1-5-9-17-15(16-18-10-11-20(16)7-3)14-12-13(6-2)19-21(14)8-4/h10-12,15,17H,5-9H2,1-4H3
InChIKeyKHQPSNCOPJWUSD-UHFFFAOYSA-N
XLogP2.77
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148852
[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307646
N-[(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 61314827
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 105109029
N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102842163
N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105099735
N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 105119622
N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945887
N-[cyclohepten-1-yl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 106657100
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194
N-[(1-ethylimidazol-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 61315206
N-[(1-ethylimidazol-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63049324

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine (CID 105149786) is N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccn1CC)c1cc(CC)nn1CC.
What is the InChIKey of N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is KHQPSNCOPJWUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-5-9-17-15(16-18-10-11-20(16)7-3)14-12-13(6-2)19-21(14)8-4/h10-12,15,17H,5-9H2,1-4H3.
What are the key properties of N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine?
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105149786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).