[2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine

C11H11BrFN3 — CID 107532554

IUPAC[2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine
SMILESCc1cnn(-c2ccc(CN)c(Br)c2F)c1
InChIInChI=1S/C11H11BrFN3/c1-7-5-15-16(6-7)9-3-2-8(4-14)10(12)11(9)13/h2-3,5-6H,4,14H2,1H3
InChIKeyYVZPOCDHOIFUNX-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.54
Rot. Bonds2

About [2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine

[2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine (PubChem CID 107532554) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is [2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine
PubChem CID107532554
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name[2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine
SMILESCc1cnn(-c2ccc(CN)c(Br)c2F)c1
InChIInChI=1S/C11H11BrFN3/c1-7-5-15-16(6-7)9-3-2-8(4-14)10(12)11(9)13/h2-3,5-6H,4,14H2,1H3
InChIKeyYVZPOCDHOIFUNX-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine 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

2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)benzoic acid
CID 107540586
5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline
CID 82506416
[3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine
CID 102814406
[2-(4-methylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 60871926
1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
CID 84713061
5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde
CID 84711366
ethyl 1-(3-bromo-4-cyano-2-fluorophenyl)pyrazole-4-carboxylate
CID 107534209
N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 60872941
1-[2-chloro-4-(chloromethyl)phenyl]-4-methylpyrazole
CID 81152621
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
[2-bromo-3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine
CID 107532169
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538

Frequently Asked Questions

What is the IUPAC name of [2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine (CID 107532554) is [2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine is Cc1cnn(-c2ccc(CN)c(Br)c2F)c1.
What is the InChIKey of [2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine?
The InChIKey is YVZPOCDHOIFUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-7-5-15-16(6-7)9-3-2-8(4-14)10(12)11(9)13/h2-3,5-6H,4,14H2,1H3.
What are the key properties of [2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine?
[2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine has a molecular weight of 284.13 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 107532554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).