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

C13H15Br2N3 — CID 105054077

IUPAC1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1Br)c1c(Br)cnn1C
InChIInChI=1S/C13H15Br2N3/c1-8-4-5-9(10(14)6-8)12(16-2)13-11(15)7-17-18(13)3/h4-7,12,16H,1-3H3
InChIKeyWJFRYNLYIABMKI-UHFFFAOYSA-N
MW373.09 g/mol
LogP3.56
Rot. Bonds3

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

1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105054077) has the molecular formula C13H15Br2N3 and a molecular weight of 373.09 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105054077
Molecular FormulaC13H15Br2N3
Molecular Weight373.09 g/mol
Exact Mass370.96
IUPAC Name1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1Br)c1c(Br)cnn1C
InChIInChI=1S/C13H15Br2N3/c1-8-4-5-9(10(14)6-8)12(16-2)13-11(15)7-17-18(13)3/h4-7,12,16H,1-3H3
InChIKeyWJFRYNLYIABMKI-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 53.56
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-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114651102
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114649394
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105189766
1-(2-bromo-4-methylphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042561
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 105054025
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115839156
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660762
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107946798
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-bromo-3-pyridinyl)-N-methylmethanamine
CID 114658304
1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054286
1-(2-methoxy-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047026

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine (CID 105054077) is 1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine is CNC(c1ccc(C)cc1Br)c1c(Br)cnn1C.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is WJFRYNLYIABMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3/c1-8-4-5-9(10(14)6-8)12(16-2)13-11(15)7-17-18(13)3/h4-7,12,16H,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 373.09 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105054077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).