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

C12H14BrN3 — CID 83904750

IUPAC1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2ccccc2Br)nc1C
InChIInChI=1S/C12H14BrN3/c1-9-10(7-14-2)8-16(15-9)12-6-4-3-5-11(12)13/h3-6,8,14H,7H2,1-2H3
InChIKeyREZUGYWXJOYTGS-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.66
Rot. Bonds3

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

1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 83904750) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
PubChem CID83904750
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2ccccc2Br)nc1C
InChIInChI=1S/C12H14BrN3/c1-9-10(7-14-2)8-16(15-9)12-6-4-3-5-11(12)13/h3-6,8,14H,7H2,1-2H3
InChIKeyREZUGYWXJOYTGS-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]acetonitrile
CID 116817814
1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84617873
1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 61271337
1-(2-bromophenyl)-4-methylpyrazol-3-amine
CID 62677549
1-[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84615124
N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline
CID 84615113
N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine
CID 84615184
3-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]benzoic acid
CID 84615132
N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
CID 84615161
N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84617889
2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol
CID 116817752
(3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol
CID 84617838

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine (CID 83904750) is 1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine is CNCc1cn(-c2ccccc2Br)nc1C.
What is the InChIKey of 1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is REZUGYWXJOYTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-9-10(7-14-2)8-16(15-9)12-6-4-3-5-11(12)13/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 83904750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).