1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

C16H22BrN3 — CID 114330568

IUPAC1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H22BrN3/c1-5-8-20-14(6-7-19-20)16(18-4)13-9-11(2)15(17)12(3)10-13/h6-7,9-10,16,18H,5,8H2,1-4H3
InChIKeyKGRHSLGAMLCEIA-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.98
Rot. Bonds5

About 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (PubChem CID 114330568) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
PubChem CID114330568
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H22BrN3/c1-5-8-20-14(6-7-19-20)16(18-4)13-9-11(2)15(17)12(3)10-13/h6-7,9-10,16,18H,5,8H2,1-4H3
InChIKeyKGRHSLGAMLCEIA-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857365
1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857773
[(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306921
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 81279266
N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144255
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 63976399
(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857493
1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 105148183
N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857326
[(2-methyl-4-pyridinyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 106756554

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (CID 114330568) is 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(NC)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is KGRHSLGAMLCEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-5-8-20-14(6-7-19-20)16(18-4)13-9-11(2)15(17)12(3)10-13/h6-7,9-10,16,18H,5,8H2,1-4H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 336.28 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114330568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).