N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine

C11H18BrN3 — CID 114666766

IUPACN-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)c1c(Br)cnn1C
InChIInChI=1S/C11H18BrN3/c1-8(5-6-13-9-3-4-9)11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3
InChIKeySDOISZWRKICRHP-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.43
Rot. Bonds5

About N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine

N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine (PubChem CID 114666766) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine
PubChem CID114666766
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)c1c(Br)cnn1C
InChIInChI=1S/C11H18BrN3/c1-8(5-6-13-9-3-4-9)11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3
InChIKeySDOISZWRKICRHP-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]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-[3-(4-bromo-1-ethylpyrazol-5-yl)butyl]cyclopropanamine
CID 114666764
N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butyl]cyclopropanamine
CID 114666758
1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665859
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine
CID 114646840
N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine
CID 114666856
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649244
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine
CID 105054370
N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine
CID 81020228
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine (CID 114666766) is N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine is CC(CCNC1CC1)c1c(Br)cnn1C.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine?
The InChIKey is SDOISZWRKICRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8(5-6-13-9-3-4-9)11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3.
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine?
N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine has a molecular weight of 272.19 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-methylpyrazol-5-yl)butyl]cyclopropanamine is sourced from PubChem (CID 114666766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).