2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine

C16H22BrN3 — CID 79225159

IUPAC2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
SMILESCCc1nn(Cc2cccc(Br)c2)c(CC)c1CCN
InChIInChI=1S/C16H22BrN3/c1-3-15-14(8-9-18)16(4-2)20(19-15)11-12-6-5-7-13(17)10-12/h5-7,10H,3-4,8-9,11,18H2,1-2H3
InChIKeyZRVNBJHTCHVROY-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.32
Rot. Bonds6

About 2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine

2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine (PubChem CID 79225159) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
PubChem CID79225159
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
SMILESCCc1nn(Cc2cccc(Br)c2)c(CC)c1CCN
InChIInChI=1S/C16H22BrN3/c1-3-15-14(8-9-18)16(4-2)20(19-15)11-12-6-5-7-13(17)10-12/h5-7,10H,3-4,8-9,11,18H2,1-2H3
InChIKeyZRVNBJHTCHVROY-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 82699197
2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 79223129
[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697489
[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol
CID 55170494
[1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697601
3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol
CID 82702929
2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 82700513
4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole
CID 82699922
1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 63276741
1-[(4-bromophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702243
2-[1-[(4-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 79219433
1-benzyl-3,5-diethylpyrazol-4-amine
CID 82702837

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine (CID 79225159) is 2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine is CCc1nn(Cc2cccc(Br)c2)c(CC)c1CCN.
What is the InChIKey of 2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
The InChIKey is ZRVNBJHTCHVROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-3-15-14(8-9-18)16(4-2)20(19-15)11-12-6-5-7-13(17)10-12/h5-7,10H,3-4,8-9,11,18H2,1-2H3.
What are the key properties of 2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine has a molecular weight of 336.28 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 79225159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).