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

C14H18BrN3O — CID 61270213

IUPAC4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
SMILESCCCn1c(CC)c(N)c(=O)n1-c1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c1-3-9-17-11(4-2)13(16)14(19)18(17)12-8-6-5-7-10(12)15/h5-8H,3-4,9,16H2,1-2H3
InChIKeyNSJXPSZWSRUXDX-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.96
Rot. Bonds4

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

4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one (PubChem CID 61270213) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
PubChem CID61270213
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
SMILESCCCn1c(CC)c(N)c(=O)n1-c1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c1-3-9-17-11(4-2)13(16)14(19)18(17)12-8-6-5-7-10(12)15/h5-8H,3-4,9,16H2,1-2H3
InChIKeyNSJXPSZWSRUXDX-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

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Related Compounds

4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one
CID 61273162
4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61272953
4-amino-2-(2,5-dimethylphenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61271368
4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one
CID 63861036
4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one
CID 61271001
4-amino-2-(3,4-dichlorophenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61272735
4-amino-2-(3-bromophenyl)-1,5-diethylpyrazol-3-one
CID 61270601
4-amino-2-tert-butyl-5-ethyl-1-propylpyrazol-3-one
CID 61270212
4-amino-2-[(4-bromophenyl)methyl]-1,5-dipropylpyrazol-3-one
CID 63276465
4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one
CID 61271371
4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one
CID 43163639
4-amino-2-benzyl-5-tert-butyl-1-propylpyrazol-3-one
CID 61271755

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one (CID 61270213) is 4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one is CCCn1c(CC)c(N)c(=O)n1-c1ccccc1Br.
What is the InChIKey of 4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one?
The InChIKey is NSJXPSZWSRUXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-9-17-11(4-2)13(16)14(19)18(17)12-8-6-5-7-10(12)15/h5-8H,3-4,9,16H2,1-2H3.
What are the key properties of 4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one?
4-amino-2-(2-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-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one is sourced from PubChem (CID 61270213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).