N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine

C13H13BrClN3 — CID 81272307

IUPACN-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(Br)c(-n2ccc(CNC3CC3)n2)c1
InChIInChI=1S/C13H13BrClN3/c14-12-4-1-9(15)7-13(12)18-6-5-11(17-18)8-16-10-2-3-10/h1,4-7,10,16H,2-3,8H2
InChIKeyZCZULQZRAVNNFY-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.54
Rot. Bonds4

About N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 81272307) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID81272307
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC NameN-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(Br)c(-n2ccc(CNC3CC3)n2)c1
InChIInChI=1S/C13H13BrClN3/c14-12-4-1-9(15)7-13(12)18-6-5-11(17-18)8-16-10-2-3-10/h1,4-7,10,16H,2-3,8H2
InChIKeyZCZULQZRAVNNFY-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-bromo-5-chlorophenyl)pyrazol-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-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 104725455
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]propan-2-amine
CID 81271665
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854553
N-[[1-(2-bromo-4-chlorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 81271668
N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 114854449
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79771903
N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65315951
N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 116785735
N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 114254035
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 66477005
N-[[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107627683
N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine
CID 114854335

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine (CID 81272307) is N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine is Clc1ccc(Br)c(-n2ccc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is ZCZULQZRAVNNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c14-12-4-1-9(15)7-13(12)18-6-5-11(17-18)8-16-10-2-3-10/h1,4-7,10,16H,2-3,8H2.
What are the key properties of N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 326.63 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81272307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).