1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine

C12H12BrClFN3 — CID 114651102

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1c(Br)cnn1C
InChIInChI=1S/C12H12BrClFN3/c1-16-11(12-9(13)6-17-18(12)2)8-4-3-7(14)5-10(8)15/h3-6,11,16H,1-2H3
InChIKeyAIVFUNOMHJDHKI-UHFFFAOYSA-N
MW332.60 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine

1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine (PubChem CID 114651102) has the molecular formula C12H12BrClFN3 and a molecular weight of 332.60 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
PubChem CID114651102
Molecular FormulaC12H12BrClFN3
Molecular Weight332.60 g/mol
Exact Mass330.99
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1c(Br)cnn1C
InChIInChI=1S/C12H12BrClFN3/c1-16-11(12-9(13)6-17-18(12)2)8-4-3-7(14)5-10(8)15/h3-6,11,16H,1-2H3
InChIKeyAIVFUNOMHJDHKI-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.60
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114028363
1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651089
[(4-bromo-1-methylpyrazol-5-yl)-(2,4-dichlorophenyl)methyl]hydrazine
CID 105342098
1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054077
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114649394
1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054286
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105217795
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63961194
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687673
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105054182
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651112

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine (CID 114651102) is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1F)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is AIVFUNOMHJDHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClFN3/c1-16-11(12-9(13)6-17-18(12)2)8-4-3-7(14)5-10(8)15/h3-6,11,16H,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine has a molecular weight of 332.60 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 114651102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).