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

C15H25N5 — CID 64801847

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine
SMILESCCC(C)n1ccc(CNCCCCn2ccnc2)n1
InChIInChI=1S/C15H25N5/c1-3-14(2)20-10-6-15(18-20)12-16-7-4-5-9-19-11-8-17-13-19/h6,8,10-11,13-14,16H,3-5,7,9,12H2,1-2H3
InChIKeyQRXSMIFEFIJARV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.62
Rot. Bonds9

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

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine (PubChem CID 64801847) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine
PubChem CID64801847
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine
SMILESCCC(C)n1ccc(CNCCCCn2ccnc2)n1
InChIInChI=1S/C15H25N5/c1-3-14(2)20-10-6-15(18-20)12-16-7-4-5-9-19-11-8-17-13-19/h6,8,10-11,13-14,16H,3-5,7,9,12H2,1-2H3
InChIKeyQRXSMIFEFIJARV-UHFFFAOYSA-N
XLogP2.62
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.62
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

4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 61069052
4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine
CID 66443821
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 64799338
3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62756118
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64800314
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-[(1-ethylimidazol-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 62351544
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
CID 64801820
3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 81176934
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine (CID 64801847) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine is CCC(C)n1ccc(CNCCCCn2ccnc2)n1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine?
The InChIKey is QRXSMIFEFIJARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-14(2)20-10-6-15(18-20)12-16-7-4-5-9-19-11-8-17-13-19/h6,8,10-11,13-14,16H,3-5,7,9,12H2,1-2H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine is sourced from PubChem (CID 64801847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).