4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine

C9H16BrN3O — CID 130663285

IUPAC4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine
SMILESCOC(C)(C)Cn1nc(C)c(Br)c1N
InChIInChI=1S/C9H16BrN3O/c1-6-7(10)8(11)13(12-6)5-9(2,3)14-4/h5,11H2,1-4H3
InChIKeyFKSRBWGKPASWCW-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.96
Rot. Bonds3

About 4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine

4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine (PubChem CID 130663285) has the molecular formula C9H16BrN3O and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine
PubChem CID130663285
Molecular FormulaC9H16BrN3O
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine
SMILESCOC(C)(C)Cn1nc(C)c(Br)c1N
InChIInChI=1S/C9H16BrN3O/c1-6-7(10)8(11)13(12-6)5-9(2,3)14-4/h5,11H2,1-4H3
InChIKeyFKSRBWGKPASWCW-UHFFFAOYSA-N
XLogP1.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine (CID 130663285) is 4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine is COC(C)(C)Cn1nc(C)c(Br)c1N.
What is the InChIKey of 4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine?
The InChIKey is FKSRBWGKPASWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O/c1-6-7(10)8(11)13(12-6)5-9(2,3)14-4/h5,11H2,1-4H3.
What are the key properties of 4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine?
4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine has a molecular weight of 262.15 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine is sourced from PubChem (CID 130663285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).