N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

C15H20BrN3O — CID 62446739

IUPACN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2cc(CNC3CC3)c(C)o2)c(C)c1Br
InChIInChI=1S/C15H20BrN3O/c1-9-15(16)10(2)19(18-9)8-14-6-12(11(3)20-14)7-17-13-4-5-13/h6,13,17H,4-5,7-8H2,1-3H3
InChIKeyVYAMACAAOAPULC-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.46
Rot. Bonds5

About N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (PubChem CID 62446739) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
PubChem CID62446739
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2cc(CNC3CC3)c(C)o2)c(C)c1Br
InChIInChI=1S/C15H20BrN3O/c1-9-15(16)10(2)19(18-9)8-14-6-12(11(3)20-14)7-17-13-4-5-13/h6,13,17H,4-5,7-8H2,1-3H3
InChIKeyVYAMACAAOAPULC-UHFFFAOYSA-N
XLogP3.46
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62443312
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62413294
N-[[2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62437586
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62448437
N-[[5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62427817
N-[[5-(benzimidazol-1-ylmethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62447227
N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62440402
N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62440400
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine
CID 62130109
2-methyl-N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62440596
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55072648
N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62447884

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (CID 62446739) is N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is Cc1nn(Cc2cc(CNC3CC3)c(C)o2)c(C)c1Br.
What is the InChIKey of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The InChIKey is VYAMACAAOAPULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-9-15(16)10(2)19(18-9)8-14-6-12(11(3)20-14)7-17-13-4-5-13/h6,13,17H,4-5,7-8H2,1-3H3.
What are the key properties of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine has a molecular weight of 338.25 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62446739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).