1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine

C8H14BrN3 — CID 83895033

IUPAC1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine
SMILESCNCc1cc(Br)n(C(C)C)n1
InChIInChI=1S/C8H14BrN3/c1-6(2)12-8(9)4-7(11-12)5-10-3/h4,6,10H,5H2,1-3H3
InChIKeyLTUJSQWGSLOWHV-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.95
Rot. Bonds3

About 1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine

1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 83895033) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine
PubChem CID83895033
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine
SMILESCNCc1cc(Br)n(C(C)C)n1
InChIInChI=1S/C8H14BrN3/c1-6(2)12-8(9)4-7(11-12)5-10-3/h4,6,10H,5H2,1-3H3
InChIKeyLTUJSQWGSLOWHV-UHFFFAOYSA-N
XLogP1.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-ethyl-1-propan-2-ylpyrazole
CID 130115872
1-[1,5-di(propan-2-yl)pyrazol-3-yl]-N-methylmethanamine
CID 105449446
1-(5-cyclopropyl-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine
CID 105447514
1-(5-bromo-1-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
CID 84795215
1-[1-ethyl-5-(2-methylpropyl)pyrazol-3-yl]-N-methylmethanamine
CID 105449455
1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine
CID 70648411
2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 105481306
1-(5-ethyl-1-methylpyrazol-3-yl)-N-methylmethanamine
CID 23006093
N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine
CID 105481332
1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
CID 66665153
1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665468
3-ethyl-5-methyl-1-propan-2-ylpyrazole
CID 58977189

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine (CID 83895033) is 1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine is CNCc1cc(Br)n(C(C)C)n1.
What is the InChIKey of 1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is LTUJSQWGSLOWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-6(2)12-8(9)4-7(11-12)5-10-3/h4,6,10H,5H2,1-3H3.
What are the key properties of 1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine?
1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 232.12 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 83895033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).