N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine

C14H18BrN3 — CID 60872941

IUPACN-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCc1cnn(-c2cc(Br)ccc2CNC(C)C)c1
InChIInChI=1S/C14H18BrN3/c1-10(2)16-8-12-4-5-13(15)6-14(12)18-9-11(3)7-17-18/h4-7,9-10,16H,8H2,1-3H3
InChIKeyLFPWGXQIPMRLHT-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.44
Rot. Bonds4

About N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine

N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 60872941) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine
PubChem CID60872941
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC NameN-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCc1cnn(-c2cc(Br)ccc2CNC(C)C)c1
InChIInChI=1S/C14H18BrN3/c1-10(2)16-8-12-4-5-13(15)6-14(12)18-9-11(3)7-17-18/h4-7,9-10,16H,8H2,1-3H3
InChIKeyLFPWGXQIPMRLHT-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine 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

1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
CID 84713061
1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine
CID 82967843
1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole
CID 107086197
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280393
N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine
CID 62294566
5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde
CID 84711366
N-[[4-bromo-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]propan-2-amine
CID 63812720
N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294736
N-[[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54910009
[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281531
5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63553056
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 65347734

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine (CID 60872941) is N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine is Cc1cnn(-c2cc(Br)ccc2CNC(C)C)c1.
What is the InChIKey of N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is LFPWGXQIPMRLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-10(2)16-8-12-4-5-13(15)6-14(12)18-9-11(3)7-17-18/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 308.22 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60872941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).