4-amino-1,5-dimethyl-2-phenylpyrazol-3-one

C11H13N3O — CID 2151

IUPAC4-amino-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(N)c(=O)n(-c2ccccc2)n1C
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
MW203.25 g/mol
LogP1.07
Rot. Bonds1

About 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one

4-amino-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 2151) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID2151
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-amino-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(N)c(=O)n(-c2ccccc2)n1C
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
XLogP1.07
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 98889
2-Aminoacetanilide
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CID 68214

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one (CID 2151) is 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(N)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one?
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-amino-1,5-dimethyl-2-phenylpyrazol-3-one?
4-amino-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 203.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 2151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).