N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine

C14H16BrN3 — CID 79485221

IUPACN-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCn1cc(CNC2CC2)c(-c2ccccc2Br)n1
InChIInChI=1S/C14H16BrN3/c1-18-9-10(8-16-11-6-7-11)14(17-18)12-4-2-3-5-13(12)15/h2-5,9,11,16H,6-8H2,1H3
InChIKeyPXPHTWOZTDJFPU-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.10
Rot. Bonds4

About N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine

N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 79485221) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID79485221
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC NameN-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCn1cc(CNC2CC2)c(-c2ccccc2Br)n1
InChIInChI=1S/C14H16BrN3/c1-18-9-10(8-16-11-6-7-11)14(17-18)12-4-2-3-5-13(12)15/h2-5,9,11,16H,6-8H2,1H3
InChIKeyPXPHTWOZTDJFPU-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(2-bromophenyl)-1-methylpyrazol-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-[[1-methyl-3-(2-methylphenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485385
N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 82973521
N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 104654150
N-[[5-(2-bromophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485095
N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79484471
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[[1-methyl-3-(3-methylthiophen-2-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485222
4-[4-[(cyclopropylamino)methyl]-1-methylpyrazol-3-yl]benzonitrile
CID 79485147
N-[[3-(5-bromo-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79491354
4-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride
CID 47610401
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 60958007

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine (CID 79485221) is N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine is Cn1cc(CNC2CC2)c(-c2ccccc2Br)n1.
What is the InChIKey of N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is PXPHTWOZTDJFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-18-9-10(8-16-11-6-7-11)14(17-18)12-4-2-3-5-13(12)15/h2-5,9,11,16H,6-8H2,1H3.
What are the key properties of N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 306.21 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79485221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).