3-methoxy-1-methylpyrazol-5-amine

C5H9N3O — CID 55284552

IUPAC3-methoxy-1-methylpyrazol-5-amine
SMILESCOc1cc(N)n(C)n1
InChIInChI=1S/C5H9N3O/c1-8-4(6)3-5(7-8)9-2/h3H,6H2,1-2H3
InChIKeyYFUSJUKJTGCOGP-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.01
Rot. Bonds1

About 3-methoxy-1-methylpyrazol-5-amine

3-methoxy-1-methylpyrazol-5-amine (PubChem CID 55284552) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 3-methoxy-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-methoxy-1-methylpyrazol-5-amine
PubChem CID55284552
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name3-methoxy-1-methylpyrazol-5-amine
SMILESCOc1cc(N)n(C)n1
InChIInChI=1S/C5H9N3O/c1-8-4(6)3-5(7-8)9-2/h3H,6H2,1-2H3
InChIKeyYFUSJUKJTGCOGP-UHFFFAOYSA-N
XLogP0.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylpyrazol-5-amine?
The IUPAC name of 3-methoxy-1-methylpyrazol-5-amine (CID 55284552) is 3-methoxy-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-methoxy-1-methylpyrazol-5-amine?
The canonical SMILES for 3-methoxy-1-methylpyrazol-5-amine is COc1cc(N)n(C)n1.
What is the InChIKey of 3-methoxy-1-methylpyrazol-5-amine?
The InChIKey is YFUSJUKJTGCOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-4(6)3-5(7-8)9-2/h3H,6H2,1-2H3.
What are the key properties of 3-methoxy-1-methylpyrazol-5-amine?
3-methoxy-1-methylpyrazol-5-amine has a molecular weight of 127.15 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylpyrazol-5-amine is sourced from PubChem (CID 55284552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).