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

C16H22BrN3O — CID 61271371

IUPAC4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one
SMILESCCCn1c(C(C)(C)C)c(N)c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O/c1-5-10-19-14(16(2,3)4)13(18)15(21)20(19)12-8-6-11(17)7-9-12/h6-9H,5,10,18H2,1-4H3
InChIKeyLISULPUWKBOJPW-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.69
Rot. Bonds3

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

4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one (PubChem CID 61271371) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one
PubChem CID61271371
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one
SMILESCCCn1c(C(C)(C)C)c(N)c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O/c1-5-10-19-14(16(2,3)4)13(18)15(21)20(19)12-8-6-11(17)7-9-12/h6-9H,5,10,18H2,1-4H3
InChIKeyLISULPUWKBOJPW-UHFFFAOYSA-N
XLogP3.69
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-(4-bromophenyl)-5-tert-butyl-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

Related Compounds

4-amino-5-tert-butyl-2-(3-chlorophenyl)-1-propylpyrazol-3-one
CID 61270607
4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one
CID 63353866
4-amino-2-benzyl-5-tert-butyl-1-propylpyrazol-3-one
CID 61271755
4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-ethylpyrazol-3-one
CID 63353865
4-amino-5-tert-butyl-1-ethyl-2-(3-methylphenyl)pyrazol-3-one
CID 61270792
4-amino-2-(4-bromophenyl)-5-(methoxymethyl)-1-methylpyrazol-3-one
CID 55063173
4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61272953
4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one
CID 61272535
4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61270213
4-amino-2-(3,4-dichlorophenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61272735
4-amino-2-[(4-bromophenyl)methyl]-1,5-dipropylpyrazol-3-one
CID 63276465
4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one
CID 61273162

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one (CID 61271371) is 4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one is CCCn1c(C(C)(C)C)c(N)c(=O)n1-c1ccc(Br)cc1.
What is the InChIKey of 4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one?
The InChIKey is LISULPUWKBOJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-5-10-19-14(16(2,3)4)13(18)15(21)20(19)12-8-6-11(17)7-9-12/h6-9H,5,10,18H2,1-4H3.
What are the key properties of 4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one?
4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one has a molecular weight of 352.28 g/mol, XLogP of 3.69, 3 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-tert-butyl-1-propylpyrazol-3-one is sourced from PubChem (CID 61271371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).