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

C15H18BrN3O — CID 63353866

IUPAC4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one
SMILESCCCn1c(C2CC2)c(N)c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-2-9-18-14(10-3-4-10)13(17)15(20)19(18)12-7-5-11(16)6-8-12/h5-8,10H,2-4,9,17H2,1H3
InChIKeyTZWYTBTYYCEQMW-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.27
Rot. Bonds4

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

4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one (PubChem CID 63353866) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one
PubChem CID63353866
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one
SMILESCCCn1c(C2CC2)c(N)c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-2-9-18-14(10-3-4-10)13(17)15(20)19(18)12-7-5-11(16)6-8-12/h5-8,10H,2-4,9,17H2,1H3
InChIKeyTZWYTBTYYCEQMW-UHFFFAOYSA-N
XLogP3.27
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-(4-bromophenyl)-5-cyclopropyl-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-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one (CID 63353866) is 4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one is CCCn1c(C2CC2)c(N)c(=O)n1-c1ccc(Br)cc1.
What is the InChIKey of 4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one?
The InChIKey is TZWYTBTYYCEQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-9-18-14(10-3-4-10)13(17)15(20)19(18)12-7-5-11(16)6-8-12/h5-8,10H,2-4,9,17H2,1H3.
What are the key properties of 4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one?
4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one has a molecular weight of 336.23 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one is sourced from PubChem (CID 63353866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).