1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

C13H16BrN3 — CID 61271337

IUPAC1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(-c2ccccc2Br)c1C
InChIInChI=1S/C13H16BrN3/c1-9-11(8-15-3)10(2)17(16-9)13-7-5-4-6-12(13)14/h4-7,15H,8H2,1-3H3
InChIKeyMFQSNMKFWWGKQH-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.97
Rot. Bonds3

About 1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 61271337) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID61271337
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(-c2ccccc2Br)c1C
InChIInChI=1S/C13H16BrN3/c1-9-11(8-15-3)10(2)17(16-9)13-7-5-4-6-12(13)14/h4-7,15H,8H2,1-3H3
InChIKeyMFQSNMKFWWGKQH-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79224848
1-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 61270772
3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225272
methyl 2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381058
1-[1-(4-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760315
1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 66023034
1-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 83904750
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 61271139
1-(2-bromophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 61394887
1-[1-(2-methoxy-5-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760375
1-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760351
2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117123584

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (CID 61271337) is 1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(-c2ccccc2Br)c1C.
What is the InChIKey of 1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is MFQSNMKFWWGKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-11(8-15-3)10(2)17(16-9)13-7-5-4-6-12(13)14/h4-7,15H,8H2,1-3H3.
What are the key properties of 1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.97, 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)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 61271337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).