1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine

C14H24BrN3 — CID 114667461

IUPAC1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2c(Br)cnn2C)C1
InChIInChI=1S/C14H24BrN3/c1-4-10-5-6-11(8-16-2)12(7-10)14-13(15)9-17-18(14)3/h9-12,16H,4-8H2,1-3H3
InChIKeyWRBYHXKXUZPHEF-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.31
Rot. Bonds4

About 1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine

1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine (PubChem CID 114667461) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine
PubChem CID114667461
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2c(Br)cnn2C)C1
InChIInChI=1S/C14H24BrN3/c1-4-10-5-6-11(8-16-2)12(7-10)14-13(15)9-17-18(14)3/h9-12,16H,4-8H2,1-3H3
InChIKeyWRBYHXKXUZPHEF-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine (CID 114667461) is 1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(c2c(Br)cnn2C)C1.
What is the InChIKey of 1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine?
The InChIKey is WRBYHXKXUZPHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-4-10-5-6-11(8-16-2)12(7-10)14-13(15)9-17-18(14)3/h9-12,16H,4-8H2,1-3H3.
What are the key properties of 1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine?
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine has a molecular weight of 314.27 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114667461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).