[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine

C11H16BrN5 — CID 106718188

IUPAC[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine
SMILESCCn1nc(C)c(Br)c1Cn1cnc(CN)c1
InChIInChI=1S/C11H16BrN5/c1-3-17-10(11(12)8(2)15-17)6-16-5-9(4-13)14-7-16/h5,7H,3-4,6,13H2,1-2H3
InChIKeyZACMSTZXYBMXKU-UHFFFAOYSA-N
MW298.19 g/mol
LogP1.68
Rot. Bonds4

About [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine

[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine (PubChem CID 106718188) has the molecular formula C11H16BrN5 and a molecular weight of 298.19 g/mol. Its IUPAC name is [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine
PubChem CID106718188
Molecular FormulaC11H16BrN5
Molecular Weight298.19 g/mol
Exact Mass297.06
IUPAC Name[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine
SMILESCCn1nc(C)c(Br)c1Cn1cnc(CN)c1
InChIInChI=1S/C11H16BrN5/c1-3-17-10(11(12)8(2)15-17)6-16-5-9(4-13)14-7-16/h5,7H,3-4,6,13H2,1-2H3
InChIKeyZACMSTZXYBMXKU-UHFFFAOYSA-N
XLogP1.68
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 2860962
N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1-(1H-imidazol-1-yl)propan-2-amine
CID 56718658
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 56893902
1-Butyl-2-[(1-methylimidazol-2-yl)methyl]-3-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine
CID 71865972
(2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 95388298
5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 136528533
1-(1-Methylimidazol-2-yl)methyl-3,5-dimethylpyrazole
CID 63812081
4-Bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
CID 55039040
4-Bromo-3,5-dimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole
CID 72008403
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine
CID 111278945
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 111280113
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 115577407

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine (CID 106718188) is [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine is CCn1nc(C)c(Br)c1Cn1cnc(CN)c1.
What is the InChIKey of [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine?
The InChIKey is ZACMSTZXYBMXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5/c1-3-17-10(11(12)8(2)15-17)6-16-5-9(4-13)14-7-16/h5,7H,3-4,6,13H2,1-2H3.
What are the key properties of [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine?
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine has a molecular weight of 298.19 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 106718188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).