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

C16H26BrN3 — CID 114660353

IUPACN-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1c(Br)cnn1C(C)C)C1CC2CCC1C2
InChIInChI=1S/C16H26BrN3/c1-4-18-15(13-8-11-5-6-12(13)7-11)16-14(17)9-19-20(16)10(2)3/h9-13,15,18H,4-8H2,1-3H3
InChIKeyRQOCJQRXTFOSOH-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.31
Rot. Bonds5

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

N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine (PubChem CID 114660353) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
PubChem CID114660353
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC NameN-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1c(Br)cnn1C(C)C)C1CC2CCC1C2
InChIInChI=1S/C16H26BrN3/c1-4-18-15(13-8-11-5-6-12(13)7-11)16-14(17)9-19-20(16)10(2)3/h9-13,15,18H,4-8H2,1-3H3
InChIKeyRQOCJQRXTFOSOH-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 N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 114649226
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105042331
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114655928
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 105042049
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]ethanamine
CID 114658168
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 114657756
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106444980
2-bicyclo[2.2.1]heptanyl-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114645446
2-[5-[2-bicyclo[2.2.1]heptanyl(hydrazinyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105266654
N-[6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 105042082
N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine
CID 61365333
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
CID 114245867

Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine (CID 114660353) is N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine is CCNC(c1c(Br)cnn1C(C)C)C1CC2CCC1C2.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is RQOCJQRXTFOSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-4-18-15(13-8-11-5-6-12(13)7-11)16-14(17)9-19-20(16)10(2)3/h9-13,15,18H,4-8H2,1-3H3.
What are the key properties of N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine 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 N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114660353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).