N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine

C11H20BrN3 — CID 62565845

IUPACN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCn1nc(C)c(Br)c1C
InChIInChI=1S/C11H20BrN3/c1-5-8(2)13-6-7-15-10(4)11(12)9(3)14-15/h8,13H,5-7H2,1-4H3
InChIKeyGYBJYXNUXADRSB-UHFFFAOYSA-N
MW274.21 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine

N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine (PubChem CID 62565845) has the molecular formula C11H20BrN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
PubChem CID62565845
Molecular FormulaC11H20BrN3
Molecular Weight274.21 g/mol
Exact Mass273.08
IUPAC NameN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCn1nc(C)c(Br)c1C
InChIInChI=1S/C11H20BrN3/c1-5-8(2)13-6-7-15-10(4)11(12)9(3)14-15/h8,13H,5-7H2,1-4H3
InChIKeyGYBJYXNUXADRSB-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine (CID 62565845) is N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine is CCC(C)NCCn1nc(C)c(Br)c1C.
What is the InChIKey of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine?
The InChIKey is GYBJYXNUXADRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3/c1-5-8(2)13-6-7-15-10(4)11(12)9(3)14-15/h8,13H,5-7H2,1-4H3.
What are the key properties of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine?
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine has a molecular weight of 274.21 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 62565845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).