5-methoxy-1H-pyrazol-4-amine

C4H7N3O — CID 84647683

IUPAC5-methoxy-1H-pyrazol-4-amine
SMILESCOc1[nH]ncc1N
InChIInChI=1S/C4H7N3O/c1-8-4-3(5)2-6-7-4/h2H,5H2,1H3,(H,6,7)
InChIKeyQUUFGHHLKZDDMF-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.00
Rot. Bonds1

About 5-methoxy-1H-pyrazol-4-amine

5-methoxy-1H-pyrazol-4-amine (PubChem CID 84647683) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-methoxy-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-methoxy-1H-pyrazol-4-amine
PubChem CID84647683
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name5-methoxy-1H-pyrazol-4-amine
SMILESCOc1[nH]ncc1N
InChIInChI=1S/C4H7N3O/c1-8-4-3(5)2-6-7-4/h2H,5H2,1H3,(H,6,7)
InChIKeyQUUFGHHLKZDDMF-UHFFFAOYSA-N
XLogP0.00
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-pyrazol-4-amine?
The IUPAC name of 5-methoxy-1H-pyrazol-4-amine (CID 84647683) is 5-methoxy-1H-pyrazol-4-amine.
What is the SMILES notation for 5-methoxy-1H-pyrazol-4-amine?
The canonical SMILES for 5-methoxy-1H-pyrazol-4-amine is COc1[nH]ncc1N.
What is the InChIKey of 5-methoxy-1H-pyrazol-4-amine?
The InChIKey is QUUFGHHLKZDDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-8-4-3(5)2-6-7-4/h2H,5H2,1H3,(H,6,7).
What are the key properties of 5-methoxy-1H-pyrazol-4-amine?
5-methoxy-1H-pyrazol-4-amine has a molecular weight of 113.12 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-pyrazol-4-amine is sourced from PubChem (CID 84647683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).