4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one

C14H18BrN3O — CID 61272953

IUPAC4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
SMILESCCCn1c(CC)c(N)c(=O)n1-c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O/c1-3-8-17-12(4-2)13(16)14(19)18(17)11-7-5-6-10(15)9-11/h5-7,9H,3-4,8,16H2,1-2H3
InChIKeyMJIILDYDLXMRAZ-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.96
Rot. Bonds4

About 4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one

4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one (PubChem CID 61272953) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
PubChem CID61272953
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
SMILESCCCn1c(CC)c(N)c(=O)n1-c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O/c1-3-8-17-12(4-2)13(16)14(19)18(17)11-7-5-6-10(15)9-11/h5-7,9H,3-4,8,16H2,1-2H3
InChIKeyMJIILDYDLXMRAZ-UHFFFAOYSA-N
XLogP2.96
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one (CID 61272953) is 4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one is CCCn1c(CC)c(N)c(=O)n1-c1cccc(Br)c1.
What is the InChIKey of 4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one?
The InChIKey is MJIILDYDLXMRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-8-17-12(4-2)13(16)14(19)18(17)11-7-5-6-10(15)9-11/h5-7,9H,3-4,8,16H2,1-2H3.
What are the key properties of 4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one?
4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one has a molecular weight of 324.22 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one is sourced from PubChem (CID 61272953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).