4-bromo-1-(methoxymethyl)pyrazol-3-amine

C5H8BrN3O — CID 65364325

IUPAC4-bromo-1-(methoxymethyl)pyrazol-3-amine
SMILESCOCn1cc(Br)c(N)n1
InChIInChI=1S/C5H8BrN3O/c1-10-3-9-2-4(6)5(7)8-9/h2H,3H2,1H3,(H2,7,8)
InChIKeyZVBJENRXKKOESS-UHFFFAOYSA-N
MW206.04 g/mol
LogP0.83
Rot. Bonds2

About 4-bromo-1-(methoxymethyl)pyrazol-3-amine

4-bromo-1-(methoxymethyl)pyrazol-3-amine (PubChem CID 65364325) has the molecular formula C5H8BrN3O and a molecular weight of 206.04 g/mol. Its IUPAC name is 4-bromo-1-(methoxymethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(methoxymethyl)pyrazol-3-amine
PubChem CID65364325
Molecular FormulaC5H8BrN3O
Molecular Weight206.04 g/mol
Exact Mass204.99
IUPAC Name4-bromo-1-(methoxymethyl)pyrazol-3-amine
SMILESCOCn1cc(Br)c(N)n1
InChIInChI=1S/C5H8BrN3O/c1-10-3-9-2-4(6)5(7)8-9/h2H,3H2,1H3,(H2,7,8)
InChIKeyZVBJENRXKKOESS-UHFFFAOYSA-N
XLogP0.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(methoxymethyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(methoxymethyl)pyrazol-3-amine (CID 65364325) is 4-bromo-1-(methoxymethyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(methoxymethyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(methoxymethyl)pyrazol-3-amine is COCn1cc(Br)c(N)n1.
What is the InChIKey of 4-bromo-1-(methoxymethyl)pyrazol-3-amine?
The InChIKey is ZVBJENRXKKOESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3O/c1-10-3-9-2-4(6)5(7)8-9/h2H,3H2,1H3,(H2,7,8).
What are the key properties of 4-bromo-1-(methoxymethyl)pyrazol-3-amine?
4-bromo-1-(methoxymethyl)pyrazol-3-amine has a molecular weight of 206.04 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(methoxymethyl)pyrazol-3-amine is sourced from PubChem (CID 65364325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).