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

C13H15BrClN3 — CID 114028363

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1C)c1c(Br)cnn1C
InChIInChI=1S/C13H15BrClN3/c1-8-6-9(15)4-5-10(8)12(16-2)13-11(14)7-17-18(13)3/h4-7,12,16H,1-3H3
InChIKeyAIFFVMNPVNMCSR-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.45
Rot. Bonds3

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

1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine (PubChem CID 114028363) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
PubChem CID114028363
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1C)c1c(Br)cnn1C
InChIInChI=1S/C13H15BrClN3/c1-8-6-9(15)4-5-10(8)12(16-2)13-11(14)7-17-18(13)3/h4-7,12,16H,1-3H3
InChIKeyAIFFVMNPVNMCSR-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.45
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-fluorophenyl)-N-methylmethanamine
CID 114651102
1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054077
[(4-bromo-1-methylpyrazol-5-yl)-(2,4-dichlorophenyl)methyl]hydrazine
CID 105342098
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114649394
1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651089
1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114028295
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228
1-(4-chloro-2-methoxyphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046921
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660762
1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054286
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 105054025
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105042035

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine (CID 114028363) is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1C)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is AIFFVMNPVNMCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-8-6-9(15)4-5-10(8)12(16-2)13-11(14)7-17-18(13)3/h4-7,12,16H,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 328.64 g/mol, XLogP of 3.45, 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-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 114028363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).