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

C12H20BrN3 — CID 114667200

IUPAC1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1c1c(Br)cnn1C
InChIInChI=1S/C12H20BrN3/c1-14-7-9-5-3-4-6-10(9)12-11(13)8-15-16(12)2/h8-10,14H,3-7H2,1-2H3
InChIKeyFYEOMVRURLSIBY-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.68
Rot. Bonds3

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

1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine (PubChem CID 114667200) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine
PubChem CID114667200
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1c1c(Br)cnn1C
InChIInChI=1S/C12H20BrN3/c1-14-7-9-5-3-4-6-10(9)12-11(13)8-15-16(12)2/h8-10,14H,3-7H2,1-2H3
InChIKeyFYEOMVRURLSIBY-UHFFFAOYSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.68
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)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine (CID 114667200) is 1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine is CNCC1CCCCC1c1c(Br)cnn1C.
What is the InChIKey of 1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine?
The InChIKey is FYEOMVRURLSIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-14-7-9-5-3-4-6-10(9)12-11(13)8-15-16(12)2/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine?
1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine has a molecular weight of 286.22 g/mol, XLogP of 2.68, 3 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)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114667200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).