4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one

C13H15Cl2N3O — CID 61272535

IUPAC4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one
SMILESCCCn1c(C)c(N)c(=O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-3-6-17-8(2)12(16)13(19)18(17)9-4-5-10(14)11(15)7-9/h4-5,7H,3,6,16H2,1-2H3
InChIKeyFYRWJOAYQFKBII-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.25
Rot. Bonds3

About 4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one

4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one (PubChem CID 61272535) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one
PubChem CID61272535
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one
SMILESCCCn1c(C)c(N)c(=O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-3-6-17-8(2)12(16)13(19)18(17)9-4-5-10(14)11(15)7-9/h4-5,7H,3,6,16H2,1-2H3
InChIKeyFYRWJOAYQFKBII-UHFFFAOYSA-N
XLogP3.25
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one (CID 61272535) is 4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one is CCCn1c(C)c(N)c(=O)n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one?
The InChIKey is FYRWJOAYQFKBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-3-6-17-8(2)12(16)13(19)18(17)9-4-5-10(14)11(15)7-9/h4-5,7H,3,6,16H2,1-2H3.
What are the key properties of 4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one?
4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one has a molecular weight of 300.19 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one is sourced from PubChem (CID 61272535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).