N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine

C13H21N5 — CID 62222161

IUPACN-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1cnn(CC)c1
InChIInChI=1S/C13H21N5/c1-3-5-14-9-13-15-6-7-17(13)10-12-8-16-18(4-2)11-12/h6-8,11,14H,3-5,9-10H2,1-2H3
InChIKeyUGTYYJHIXXUCBS-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.65
Rot. Bonds7

About N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine

N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine (PubChem CID 62222161) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
PubChem CID62222161
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1cnn(CC)c1
InChIInChI=1S/C13H21N5/c1-3-5-14-9-13-15-6-7-17(13)10-12-8-16-18(4-2)11-12/h6-8,11,14H,3-5,9-10H2,1-2H3
InChIKeyUGTYYJHIXXUCBS-UHFFFAOYSA-N
XLogP1.65
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103038794
N-[[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223380
N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62549303
N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048807
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 55048710
N-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402997
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048661
N-[[1-[(3-fluoro-5-nitrophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 115981067
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62222165

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine (CID 62222161) is N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1Cc1cnn(CC)c1.
What is the InChIKey of N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is UGTYYJHIXXUCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-5-14-9-13-15-6-7-17(13)10-12-8-16-18(4-2)11-12/h6-8,11,14H,3-5,9-10H2,1-2H3.
What are the key properties of N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 247.35 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62222161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).