4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one

C12H15N3O — CID 103995086

IUPAC4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one
SMILESCCCn1[nH]c(-c2ccccc2)c(N)c1=O
InChIInChI=1S/C12H15N3O/c1-2-8-15-12(16)10(13)11(14-15)9-6-4-3-5-7-9/h3-7,14H,2,8,13H2,1H3
InChIKeyZHPARTDRDVIEAS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.84
Rot. Bonds3

About 4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one

4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one (PubChem CID 103995086) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one
PubChem CID103995086
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one
SMILESCCCn1[nH]c(-c2ccccc2)c(N)c1=O
InChIInChI=1S/C12H15N3O/c1-2-8-15-12(16)10(13)11(14-15)9-6-4-3-5-7-9/h3-7,14H,2,8,13H2,1H3
InChIKeyZHPARTDRDVIEAS-UHFFFAOYSA-N
XLogP1.84
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-(2-methylsulfonylethyl)-5-phenyl-1H-pyrazol-3-one
CID 103995370
4-amino-2-[(3-fluorophenyl)methyl]-5-phenyl-1H-pyrazol-3-one
CID 103995293
4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one
CID 103994916
4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione
CID 121221372
4-amino-2-(2,4-dimethylphenyl)-5-phenyl-1H-pyrazol-3-one
CID 103995003
2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
CID 10899399
4-amino-2-(3-chloro-4-methylphenyl)-5-phenyl-1H-pyrazol-3-one
CID 103994908
4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one
CID 103995212
4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one
CID 104844877
2,3,5,6-tetraphenyl-1-propylpyridin-4-one
CID 73057320
5,6-diamino-1-benzyl-3-propylpyrimidine-2,4-dione
CID 11254336
3-amino-2-propyl-1H-pyrazol-5-one
CID 61265521

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one (CID 103995086) is 4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one is CCCn1[nH]c(-c2ccccc2)c(N)c1=O.
What is the InChIKey of 4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one?
The InChIKey is ZHPARTDRDVIEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-8-15-12(16)10(13)11(14-15)9-6-4-3-5-7-9/h3-7,14H,2,8,13H2,1H3.
What are the key properties of 4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one?
4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-phenyl-2-propyl-1H-pyrazol-3-one is sourced from PubChem (CID 103995086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).