1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one

C12H15N3O — CID 10618

IUPAC1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one
SMILESCNc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3
InChIKeyJILCEWWZTBBOFS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.53
Rot. Bonds2

About 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one

1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one (PubChem CID 10618) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one
PubChem CID10618
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one
SMILESCNc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3
InChIKeyJILCEWWZTBBOFS-UHFFFAOYSA-N
XLogP1.53
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one (CID 10618) is 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one is CNc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one?
The InChIKey is JILCEWWZTBBOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3.
What are the key properties of 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one?
1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one is sourced from PubChem (CID 10618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).