N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine

C17H22BrN3 — CID 107431113

IUPACN-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(-c2ccc(Br)cc2)c(CC)c1CNC1CC1
InChIInChI=1S/C17H22BrN3/c1-3-16-15(11-19-13-7-8-13)17(4-2)21(20-16)14-9-5-12(18)6-10-14/h5-6,9-10,13,19H,3-4,7-8,11H2,1-2H3
InChIKeyDJVMYJWJICJRBE-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.01
Rot. Bonds6

About N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 107431113) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID107431113
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC NameN-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(-c2ccc(Br)cc2)c(CC)c1CNC1CC1
InChIInChI=1S/C17H22BrN3/c1-3-16-15(11-19-13-7-8-13)17(4-2)21(20-16)14-9-5-12(18)6-10-14/h5-6,9-10,13,19H,3-4,7-8,11H2,1-2H3
InChIKeyDJVMYJWJICJRBE-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-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-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 107431061
N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440971
N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 107431162
N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine
CID 82697468
N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 82696836
1-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)-N-methylmethanamine
CID 107431079
N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 42689956
6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one
CID 82421061
1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine
CID 107431150
N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
CID 107431063
methyl 2-[1-(4-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetate
CID 79220409
N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109524

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine (CID 107431113) is N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine is CCc1nn(-c2ccc(Br)cc2)c(CC)c1CNC1CC1.
What is the InChIKey of N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is DJVMYJWJICJRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-3-16-15(11-19-13-7-8-13)17(4-2)21(20-16)14-9-5-12(18)6-10-14/h5-6,9-10,13,19H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 348.29 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107431113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).