1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine

C15H20BrN3 — CID 105040397

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCCn1ncc(Br)c1C(N)Cc1cc(C)ccc1C
InChIInChI=1S/C15H20BrN3/c1-4-19-15(13(16)9-18-19)14(17)8-12-7-10(2)5-6-11(12)3/h5-7,9,14H,4,8,17H2,1-3H3
InChIKeyGSWPKPBLKCLYRH-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine (PubChem CID 105040397) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
PubChem CID105040397
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCCn1ncc(Br)c1C(N)Cc1cc(C)ccc1C
InChIInChI=1S/C15H20BrN3/c1-4-19-15(13(16)9-18-19)14(17)8-12-7-10(2)5-6-11(12)3/h5-7,9,14H,4,8,17H2,1-3H3
InChIKeyGSWPKPBLKCLYRH-UHFFFAOYSA-N
XLogP3.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115835103
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
CID 114648837
2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105101126
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 114648152
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 105040135
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,5-dimethylphenyl)ethanol
CID 115835849
(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
CID 114634828
1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653621
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646982

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine (CID 105040397) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine is CCn1ncc(Br)c1C(N)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine?
The InChIKey is GSWPKPBLKCLYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-4-19-15(13(16)9-18-19)14(17)8-12-7-10(2)5-6-11(12)3/h5-7,9,14H,4,8,17H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 105040397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).