N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine

C17H30BrN3 — CID 81034972

IUPACN-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1Cc1c(Br)c(C)nn1C
InChIInChI=1S/C17H30BrN3/c1-5-13-7-8-14(11-19-6-2)15(9-13)10-16-17(18)12(3)20-21(16)4/h13-15,19H,5-11H2,1-4H3
InChIKeyRBRZVKNIEOPDER-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.09
Rot. Bonds6

About N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine

N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine (PubChem CID 81034972) has the molecular formula C17H30BrN3 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
PubChem CID81034972
Molecular FormulaC17H30BrN3
Molecular Weight356.35 g/mol
Exact Mass355.16
IUPAC NameN-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1Cc1c(Br)c(C)nn1C
InChIInChI=1S/C17H30BrN3/c1-5-13-7-8-14(11-19-6-2)15(9-13)10-16-17(18)12(3)20-21(16)4/h13-15,19H,5-11H2,1-4H3
InChIKeyRBRZVKNIEOPDER-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine 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-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine (CID 81034972) is N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1Cc1c(Br)c(C)nn1C.
What is the InChIKey of N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The InChIKey is RBRZVKNIEOPDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN3/c1-5-13-7-8-14(11-19-6-2)15(9-13)10-16-17(18)12(3)20-21(16)4/h13-15,19H,5-11H2,1-4H3.
What are the key properties of N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine has a molecular weight of 356.35 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81034972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).