1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one

C14H19N3O — CID 5037

💊View drug profile → ramifenazone
IUPAC1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one
SMILESCc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3
InChIKeyXOZLRRYPUKAKMU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.30
Rot. Bonds3

About 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one

1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one (PubChem CID 5037) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one
PubChem CID5037
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one
SMILESCc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3
InChIKeyXOZLRRYPUKAKMU-UHFFFAOYSA-N
XLogP2.30
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-Acetylaminoantipyrine
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4-(Formylamino)antipyrine
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2-Aminoacetanilide
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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one?
The IUPAC name of 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one (CID 5037) is 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one is Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one?
The InChIKey is XOZLRRYPUKAKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3.
What are the key properties of 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one?
1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one has a molecular weight of 245.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one is sourced from PubChem (CID 5037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).