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

C13H21N5 — CID 79985929

IUPACN-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1cn(Cc2cnn(C)c2)cn1
InChIInChI=1S/C13H21N5/c1-3-5-14-6-4-13-10-18(11-15-13)9-12-7-16-17(2)8-12/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyAMMMQRYQKQDACO-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.21
Rot. Bonds7

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

N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine (PubChem CID 79985929) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
PubChem CID79985929
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1cn(Cc2cnn(C)c2)cn1
InChIInChI=1S/C13H21N5/c1-3-5-14-6-4-13-10-18(11-15-13)9-12-7-16-17(2)8-12/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyAMMMQRYQKQDACO-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine
CID 79985350
N-[2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 104810309
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500
1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721377
N-[2-[1-[(2,4-dichlorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79986003
6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol
CID 107706775
N-[2-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79971964
N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine
CID 104649119
N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 103049573
N-[2-[1-[(3-bromothiophen-2-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79984951
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine (CID 79985929) is N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine is CCCNCCc1cn(Cc2cnn(C)c2)cn1.
What is the InChIKey of N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine?
The InChIKey is AMMMQRYQKQDACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-5-14-6-4-13-10-18(11-15-13)9-12-7-16-17(2)8-12/h7-8,10-11,14H,3-6,9H2,1-2H3.
What are the key properties of N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine?
N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine has a molecular weight of 247.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79985929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).