N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine

C16H27N5 — CID 105148852

IUPACN-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1cc(CC)nn1CC
InChIInChI=1S/C16H27N5/c1-5-10-20-11-9-18-16(20)15(17-7-3)14-12-13(6-2)19-21(14)8-4/h9,11-12,15,17H,5-8,10H2,1-4H3
InChIKeyRMMOCEKJBBPMHF-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.77
Rot. Bonds8

About N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine

N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 105148852) 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-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID105148852
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1cc(CC)nn1CC
InChIInChI=1S/C16H27N5/c1-5-10-20-11-9-18-16(20)15(17-7-3)14-12-13(6-2)19-21(14)8-4/h9,11-12,15,17H,5-8,10H2,1-4H3
InChIKeyRMMOCEKJBBPMHF-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

[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307646
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 105149786
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
N-[(5-methylpyrazin-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148936
N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79780571
N-[(1-ethylimidazol-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 82903316
N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318558
N-[(5-bromo-4-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79996590
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318152
N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine
CID 105095176
N-[(6-methoxypyridazin-3-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 103374471

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine (CID 105148852) is N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1C(NCC)c1cc(CC)nn1CC.
What is the InChIKey of N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is RMMOCEKJBBPMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-5-10-20-11-9-18-16(20)15(17-7-3)14-12-13(6-2)19-21(14)8-4/h9,11-12,15,17H,5-8,10H2,1-4H3.
What are the key properties of N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine 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-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 105148852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).