2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine

C16H26BrN3 — CID 105042049

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1c(Br)cnn1C(C)C
InChIInChI=1S/C16H26BrN3/c1-10(2)20-16(14(17)9-19-20)15(18-3)8-13-7-11-4-5-12(13)6-11/h9-13,15,18H,4-8H2,1-3H3
InChIKeyGRYSRGSECXRJHH-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.31
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine (PubChem CID 105042049) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
PubChem CID105042049
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1c(Br)cnn1C(C)C
InChIInChI=1S/C16H26BrN3/c1-10(2)20-16(14(17)9-19-20)15(18-3)8-13-7-11-4-5-12(13)6-11/h9-13,15,18H,4-8H2,1-3H3
InChIKeyGRYSRGSECXRJHH-UHFFFAOYSA-N
XLogP4.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine 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

[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105342090
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114660353
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 114660447
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-ethylethanamine
CID 105041464
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 105041938
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 105048734
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 105012696
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999502
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105183990
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105041983
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)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114649211

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine (CID 105042049) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine is CNC(CC1CC2CCC1C2)c1c(Br)cnn1C(C)C.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is GRYSRGSECXRJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-10(2)20-16(14(17)9-19-20)15(18-3)8-13-7-11-4-5-12(13)6-11/h9-13,15,18H,4-8H2,1-3H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105042049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).