2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine

C16H22BrN3 — CID 64783132

IUPAC2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(C)n1ccc(CC(C)(N)c2ccccc2Br)n1
InChIInChI=1S/C16H22BrN3/c1-4-12(2)20-10-9-13(19-20)11-16(3,18)14-7-5-6-8-15(14)17/h5-10,12H,4,11,18H2,1-3H3
InChIKeyLQRUZDYTQVDSFF-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.03
Rot. Bonds5

About 2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine

2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine (PubChem CID 64783132) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine
PubChem CID64783132
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(C)n1ccc(CC(C)(N)c2ccccc2Br)n1
InChIInChI=1S/C16H22BrN3/c1-4-12(2)20-10-9-13(19-20)11-16(3,18)14-7-5-6-8-15(14)17/h5-10,12H,4,11,18H2,1-3H3
InChIKeyLQRUZDYTQVDSFF-UHFFFAOYSA-N
XLogP4.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-2-(2-methylphenyl)propan-2-amine
CID 64784290
1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 64785649
2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785838
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine
CID 65020467
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
1-butan-2-yl-3-[2-(chloromethyl)-2,3-dimethylbutyl]pyrazole
CID 83151402
2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64786032
2-(2-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
CID 62620893
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-phenylbutan-1-ol
CID 66058093
2-(2-bromophenyl)-3-methylpentan-2-amine
CID 79444116
[3,5-dibromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 107741450
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83159858

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine (CID 64783132) is 2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine is CCC(C)n1ccc(CC(C)(N)c2ccccc2Br)n1.
What is the InChIKey of 2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is LQRUZDYTQVDSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-4-12(2)20-10-9-13(19-20)11-16(3,18)14-7-5-6-8-15(14)17/h5-10,12H,4,11,18H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine?
2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 336.28 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 64783132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).