1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine

C15H20BrN3 — CID 63814999

IUPAC1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine
SMILESCc1cc(-n2nc(C)c(Br)c2C)ccc1CC(C)N
InChIInChI=1S/C15H20BrN3/c1-9-7-14(6-5-13(9)8-10(2)17)19-12(4)15(16)11(3)18-19/h5-7,10H,8,17H2,1-4H3
InChIKeyFQIDXCJABVQVMQ-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.45
Rot. Bonds3

About 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine

1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine (PubChem CID 63814999) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine
PubChem CID63814999
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine
SMILESCc1cc(-n2nc(C)c(Br)c2C)ccc1CC(C)N
InChIInChI=1S/C15H20BrN3/c1-9-7-14(6-5-13(9)8-10(2)17)19-12(4)15(16)11(3)18-19/h5-7,10H,8,17H2,1-4H3
InChIKeyFQIDXCJABVQVMQ-UHFFFAOYSA-N
XLogP3.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]propan-2-amine
CID 63816760
1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63817111
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 62128723
(1R)-1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 63369059
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 63816766
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chlorophenyl]propan-2-amine
CID 81165729
1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanamine
CID 83127098
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine
CID 114064766
2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
CID 63815380
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole
CID 55038842
[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 115487122

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine (CID 63814999) is 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine is Cc1cc(-n2nc(C)c(Br)c2C)ccc1CC(C)N.
What is the InChIKey of 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine?
The InChIKey is FQIDXCJABVQVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-9-7-14(6-5-13(9)8-10(2)17)19-12(4)15(16)11(3)18-19/h5-7,10H,8,17H2,1-4H3.
What are the key properties of 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine?
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine has a molecular weight of 322.25 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-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine is sourced from PubChem (CID 63814999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).