2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine

C14H18BrN3 — CID 116818013

IUPAC2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine
SMILESCc1ccc(-n2nc(C)c(CCN)c2Br)c(C)c1
InChIInChI=1S/C14H18BrN3/c1-9-4-5-13(10(2)8-9)18-14(15)12(6-7-16)11(3)17-18/h4-5,8H,6-7,16H2,1-3H3
InChIKeyGXMOZPAWWYQQPV-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.06
Rot. Bonds3

About 2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine

2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine (PubChem CID 116818013) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine
PubChem CID116818013
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine
SMILESCc1ccc(-n2nc(C)c(CCN)c2Br)c(C)c1
InChIInChI=1S/C14H18BrN3/c1-9-4-5-13(10(2)8-9)18-14(15)12(6-7-16)11(3)17-18/h4-5,8H,6-7,16H2,1-3H3
InChIKeyGXMOZPAWWYQQPV-UHFFFAOYSA-N
XLogP3.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 116817945
3-[1-(4-bromo-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 104509106
3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79225551
2-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79225696
N-[[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61271721
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine
CID 114057518
N-[[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61271722
3-(3-bromophenyl)-1-(2,4-dimethylphenyl)pyrazol-5-amine
CID 43436058
2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117123584
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 82085259
2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol
CID 116817882

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine (CID 116818013) is 2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine is Cc1ccc(-n2nc(C)c(CCN)c2Br)c(C)c1.
What is the InChIKey of 2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine?
The InChIKey is GXMOZPAWWYQQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-9-4-5-13(10(2)8-9)18-14(15)12(6-7-16)11(3)17-18/h4-5,8H,6-7,16H2,1-3H3.
What are the key properties of 2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine?
2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 116818013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).