1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine

C17H24BrN3 — CID 105042151

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1c(Br)cnn1C(C)C
InChIInChI=1S/C17H24BrN3/c1-5-14(13-9-7-6-8-10-13)16(19-4)17-15(18)11-20-21(17)12(2)3/h6-12,14,16,19H,5H2,1-4H3
InChIKeyJYBMDKBQKJCCMU-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.68
Rot. Bonds6

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 105042151) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
PubChem CID105042151
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1c(Br)cnn1C(C)C
InChIInChI=1S/C17H24BrN3/c1-5-14(13-9-7-6-8-10-13)16(19-4)17-15(18)11-20-21(17)12(2)3/h6-12,14,16,19H,5H2,1-4H3
InChIKeyJYBMDKBQKJCCMU-UHFFFAOYSA-N
XLogP4.68
TPSA29.85 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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105054099
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,2-difluoro-N-methylethanamine
CID 103517138
[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105342210
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336192
[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336660
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105336913
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105041777
1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 80534954
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
CID 114635561
1-(2-ethylpyrazol-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 115858001
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114649429
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 114648607

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine (CID 105042151) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine is CCC(c1ccccc1)C(NC)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is JYBMDKBQKJCCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-5-14(13-9-7-6-8-10-13)16(19-4)17-15(18)11-20-21(17)12(2)3/h6-12,14,16,19H,5H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 105042151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).