N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine

C15H20BrN3 — CID 82759345

IUPACN-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Br)c(-n2ccc(CNC(C)(C)C)n2)c1
InChIInChI=1S/C15H20BrN3/c1-11-5-6-13(16)14(9-11)19-8-7-12(18-19)10-17-15(2,3)4/h5-9,17H,10H2,1-4H3
InChIKeyLJUHHKWCINKTIN-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.83
Rot. Bonds3

About N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82759345) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID82759345
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Br)c(-n2ccc(CNC(C)(C)C)n2)c1
InChIInChI=1S/C15H20BrN3/c1-11-5-6-13(16)14(9-11)19-8-7-12(18-19)10-17-15(2,3)4/h5-9,17H,10H2,1-4H3
InChIKeyLJUHHKWCINKTIN-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 104781888
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]propan-2-amine
CID 81271665
N-[[1-(3-chloro-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107370963
1-(2-bromo-5-methylphenyl)pyrazole
CID 130121317
N-[[1-(2-bromo-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 107627583
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 81272307
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867128
3-(bromomethyl)-1-(2-methoxy-5-methylphenyl)pyrazole
CID 84617523
N-[[1-(2,6-dibromo-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66206885
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943
1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole
CID 66016718
N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 104725455

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine (CID 82759345) is N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(Br)c(-n2ccc(CNC(C)(C)C)n2)c1.
What is the InChIKey of N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LJUHHKWCINKTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-11-5-6-13(16)14(9-11)19-8-7-12(18-19)10-17-15(2,3)4/h5-9,17H,10H2,1-4H3.
What are the key properties of N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82759345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).