N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine

C13H22BrN3 — CID 114662979

IUPACN-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine
SMILESCC(NC1CC1)C(C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H22BrN3/c1-8(2)17-13(12(14)7-15-17)9(3)10(4)16-11-5-6-11/h7-11,16H,5-6H2,1-4H3
InChIKeyNHEXUPYCDLCXBQ-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.47
Rot. Bonds5

About N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine

N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine (PubChem CID 114662979) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine
PubChem CID114662979
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC NameN-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine
SMILESCC(NC1CC1)C(C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H22BrN3/c1-8(2)17-13(12(14)7-15-17)9(3)10(4)16-11-5-6-11/h7-11,16H,5-6H2,1-4H3
InChIKeyNHEXUPYCDLCXBQ-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine 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-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114649211
N-[6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 105042082
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
CID 115835453
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114655928
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 114649226
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648745
6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 115835341
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660210
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105042259
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanol
CID 103547630
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 114655618
N-[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(oxan-2-yl)ethyl]propan-1-amine
CID 114660474

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine?
The IUPAC name of N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine (CID 114662979) is N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine?
The canonical SMILES for N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine is CC(NC1CC1)C(C)c1c(Br)cnn1C(C)C.
What is the InChIKey of N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine?
The InChIKey is NHEXUPYCDLCXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-8(2)17-13(12(14)7-15-17)9(3)10(4)16-11-5-6-11/h7-11,16H,5-6H2,1-4H3.
What are the key properties of N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine?
N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine has a molecular weight of 300.24 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine is sourced from PubChem (CID 114662979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).