1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine

C13H21N5 — CID 64784053

IUPAC1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine
SMILESCCC(C)n1ccc(Cn2ccnc2CNC)n1
InChIInChI=1S/C13H21N5/c1-4-11(2)18-7-5-12(16-18)10-17-8-6-15-13(17)9-14-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyVOVAIHPMUCMREB-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.82
Rot. Bonds6

About 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine

1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine (PubChem CID 64784053) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine
PubChem CID64784053
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine
SMILESCCC(C)n1ccc(Cn2ccnc2CNC)n1
InChIInChI=1S/C13H21N5/c1-4-11(2)18-7-5-12(16-18)10-17-8-6-15-13(17)9-14-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyVOVAIHPMUCMREB-UHFFFAOYSA-N
XLogP1.82
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 64784248
2-methyl-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66401706
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methanamine
CID 107045469
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107545
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719105
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 42656322
N-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]methanamine
CID 107045468
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405681
2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile
CID 62221599
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-iodopyrimidin-4-one
CID 66308642

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine (CID 64784053) is 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine is CCC(C)n1ccc(Cn2ccnc2CNC)n1.
What is the InChIKey of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine?
The InChIKey is VOVAIHPMUCMREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-11(2)18-7-5-12(16-18)10-17-8-6-15-13(17)9-14-3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine?
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 64784053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).