4-amino-2-methyl-1H-pyrazol-3-one

C4H7N3O — CID 70459073

IUPAC4-amino-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]cc(N)c1=O
InChIInChI=1S/C4H7N3O/c1-7-4(8)3(5)2-6-7/h2,6H,5H2,1H3
InChIKeyOCUHDGOVNMPCOQ-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.70
Rot. Bonds

About 4-amino-2-methyl-1H-pyrazol-3-one

4-amino-2-methyl-1H-pyrazol-3-one (PubChem CID 70459073) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 4-amino-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-methyl-1H-pyrazol-3-one
PubChem CID70459073
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name4-amino-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]cc(N)c1=O
InChIInChI=1S/C4H7N3O/c1-7-4(8)3(5)2-6-7/h2,6H,5H2,1H3
InChIKeyOCUHDGOVNMPCOQ-UHFFFAOYSA-N
XLogP-0.70
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-methyl-1H-pyrazol-3-one (CID 70459073) is 4-amino-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-methyl-1H-pyrazol-3-one is Cn1[nH]cc(N)c1=O.
What is the InChIKey of 4-amino-2-methyl-1H-pyrazol-3-one?
The InChIKey is OCUHDGOVNMPCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-7-4(8)3(5)2-6-7/h2,6H,5H2,1H3.
What are the key properties of 4-amino-2-methyl-1H-pyrazol-3-one?
4-amino-2-methyl-1H-pyrazol-3-one has a molecular weight of 113.12 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 70459073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).