2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine

C14H18BrN3 — CID 102811982

IUPAC2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
SMILESCCc1nn(C)cc1C(N)Cc1cccc(Br)c1
InChIInChI=1S/C14H18BrN3/c1-3-14-12(9-18(2)17-14)13(16)8-10-5-4-6-11(15)7-10/h4-7,9,13H,3,8,16H2,1-2H3
InChIKeyWTRPMRHUFHGDAB-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.99
Rot. Bonds4

About 2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine

2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine (PubChem CID 102811982) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
PubChem CID102811982
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
SMILESCCc1nn(C)cc1C(N)Cc1cccc(Br)c1
InChIInChI=1S/C14H18BrN3/c1-3-14-12(9-18(2)17-14)13(16)8-10-5-4-6-11(15)7-10/h4-7,9,13H,3,8,16H2,1-2H3
InChIKeyWTRPMRHUFHGDAB-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949
2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114219129
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 102812078
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064883
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 102812630
2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
CID 114255323
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine (CID 102811982) is 2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine is CCc1nn(C)cc1C(N)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
The InChIKey is WTRPMRHUFHGDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-14-12(9-18(2)17-14)13(16)8-10-5-4-6-11(15)7-10/h4-7,9,13H,3,8,16H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine has a molecular weight of 308.22 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 102811982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).