2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

C17H24BrN3 — CID 64786032

IUPAC2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(C)(N)c2ccc(Br)cc2)n1
InChIInChI=1S/C17H24BrN3/c1-4-16(5-2)21-11-10-15(20-21)12-17(3,19)13-6-8-14(18)9-7-13/h6-11,16H,4-5,12,19H2,1-3H3
InChIKeyHRVPGQXVEVYTEW-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.42
Rot. Bonds6

About 2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (PubChem CID 64786032) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
PubChem CID64786032
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(C)(N)c2ccc(Br)cc2)n1
InChIInChI=1S/C17H24BrN3/c1-4-16(5-2)21-11-10-15(20-21)12-17(3,19)13-6-8-14(18)9-7-13/h6-11,16H,4-5,12,19H2,1-3H3
InChIKeyHRVPGQXVEVYTEW-UHFFFAOYSA-N
XLogP4.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (CID 64786032) is 2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is CCC(CC)n1ccc(CC(C)(N)c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is HRVPGQXVEVYTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-4-16(5-2)21-11-10-15(20-21)12-17(3,19)13-6-8-14(18)9-7-13/h6-11,16H,4-5,12,19H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 350.30 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 64786032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).