3-amino-1-methoxypyrazol-4-ol

C4H7N3O2 — CID 69235459

IUPAC3-amino-1-methoxypyrazol-4-ol
SMILESCOn1cc(O)c(N)n1
InChIInChI=1S/C4H7N3O2/c1-9-7-2-3(8)4(5)6-7/h2,8H,1H3,(H2,5,6)
InChIKeyQVPREUSGMKVRLE-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.77
Rot. Bonds1

About 3-amino-1-methoxypyrazol-4-ol

3-amino-1-methoxypyrazol-4-ol (PubChem CID 69235459) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 3-amino-1-methoxypyrazol-4-ol.

Molecular Properties

Compound Name3-amino-1-methoxypyrazol-4-ol
PubChem CID69235459
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name3-amino-1-methoxypyrazol-4-ol
SMILESCOn1cc(O)c(N)n1
InChIInChI=1S/C4H7N3O2/c1-9-7-2-3(8)4(5)6-7/h2,8H,1H3,(H2,5,6)
InChIKeyQVPREUSGMKVRLE-UHFFFAOYSA-N
XLogP-0.77
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methoxypyrazol-4-ol?
The IUPAC name of 3-amino-1-methoxypyrazol-4-ol (CID 69235459) is 3-amino-1-methoxypyrazol-4-ol.
What is the SMILES notation for 3-amino-1-methoxypyrazol-4-ol?
The canonical SMILES for 3-amino-1-methoxypyrazol-4-ol is COn1cc(O)c(N)n1.
What is the InChIKey of 3-amino-1-methoxypyrazol-4-ol?
The InChIKey is QVPREUSGMKVRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-9-7-2-3(8)4(5)6-7/h2,8H,1H3,(H2,5,6).
What are the key properties of 3-amino-1-methoxypyrazol-4-ol?
3-amino-1-methoxypyrazol-4-ol has a molecular weight of 129.12 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methoxypyrazol-4-ol is sourced from PubChem (CID 69235459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).