4-Aminoantipyrine

C11H13N3O — CID 2151

IUPAC4-amino-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
InChIInChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
InChIKeyRLFWWDJHLFCNIJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.10
Rot. Bonds1

About 4-Aminoantipyrine

4-Aminoantipyrine (PubChem CID 2151) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-Aminoantipyrine
PubChem CID2151
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4-amino-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
InChIInChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
InChIKeyRLFWWDJHLFCNIJ-UHFFFAOYSA-N
XLogP0.10
TPSA49.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity305

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Aminopyrine
CID 6009
Antipyrine
CID 2206
Propyphenazone
CID 3778
Methylaminoantipyrine
CID 10618
Metamizole Sodium
CID 522325
Ramifenazone
CID 5037
4-Iodoantipyrine
CID 8522
4-Acetylaminoantipyrine
CID 65743
4-(Formylamino)antipyrine
CID 72666
4-Hydroxyantipyrine
CID 98889
2-Aminoacetanilide
CID 208384
1-Acetyl-1,5,5-trimethyl-2-phenylsemioxamazide
CID 68214

Frequently Asked Questions

What is the IUPAC name of 4-Aminoantipyrine?
The IUPAC name of 4-Aminoantipyrine (CID 2151) is 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-Aminoantipyrine?
The canonical SMILES for 4-Aminoantipyrine is CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.
What is the InChIKey of 4-Aminoantipyrine?
The InChIKey is RLFWWDJHLFCNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3.
What are the key properties of 4-Aminoantipyrine?
4-Aminoantipyrine has a molecular weight of 203.24 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Aminoantipyrine is sourced from PubChem (CID 2151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).