N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine

C15H25N5 — CID 106719105

IUPACN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2ccn(C(C)CC)n2)cn1
InChIInChI=1S/C15H25N5/c1-4-7-16-9-15-11-19(12-17-15)10-14-6-8-20(18-14)13(3)5-2/h6,8,11-13,16H,4-5,7,9-10H2,1-3H3
InChIKeyLFVMYKWQZFUFHQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.60
Rot. Bonds8

About N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine

N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106719105) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID106719105
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2ccn(C(C)CC)n2)cn1
InChIInChI=1S/C15H25N5/c1-4-7-16-9-15-11-19(12-17-15)10-14-6-8-20(18-14)13(3)5-2/h6,8,11-13,16H,4-5,7,9-10H2,1-3H3
InChIKeyLFVMYKWQZFUFHQ-UHFFFAOYSA-N
XLogP2.60
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.60
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

2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 79983158
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720594
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 64778333
N-[[1-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719188
1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
CID 66407696
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 64779069
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719254
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64800314
5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine
CID 79590829
N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66191986
3-[[4-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 106719183

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (CID 106719105) is N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(Cc2ccn(C(C)CC)n2)cn1.
What is the InChIKey of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is LFVMYKWQZFUFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-7-16-9-15-11-19(12-17-15)10-14-6-8-20(18-14)13(3)5-2/h6,8,11-13,16H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106719105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).