4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine

C10H16BrN3O — CID 106821650

IUPAC4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine
SMILESCCOC1CC(n2nc(C)c(Br)c2N)C1
InChIInChI=1S/C10H16BrN3O/c1-3-15-8-4-7(5-8)14-10(12)9(11)6(2)13-14/h7-8H,3-5,12H2,1-2H3
InChIKeyJBCZHCFTJPQLJG-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.28
Rot. Bonds3

About 4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine

4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine (PubChem CID 106821650) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine
PubChem CID106821650
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine
SMILESCCOC1CC(n2nc(C)c(Br)c2N)C1
InChIInChI=1S/C10H16BrN3O/c1-3-15-8-4-7(5-8)14-10(12)9(11)6(2)13-14/h7-8H,3-5,12H2,1-2H3
InChIKeyJBCZHCFTJPQLJG-UHFFFAOYSA-N
XLogP2.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine (CID 106821650) is 4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine is CCOC1CC(n2nc(C)c(Br)c2N)C1.
What is the InChIKey of 4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine?
The InChIKey is JBCZHCFTJPQLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-15-8-4-7(5-8)14-10(12)9(11)6(2)13-14/h7-8H,3-5,12H2,1-2H3.
What are the key properties of 4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine?
4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine has a molecular weight of 274.16 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-ethoxycyclobutyl)-3-methylpyrazol-5-amine is sourced from PubChem (CID 106821650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).