1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone

C12H11Cl2N3O — CID 65360640

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone
SMILESCn1ncc(C(=O)Cc2cc(Cl)ccc2Cl)c1N
InChIInChI=1S/C12H11Cl2N3O/c1-17-12(15)9(6-16-17)11(18)5-7-4-8(13)2-3-10(7)14/h2-4,6H,5,15H2,1H3
InChIKeyUADLIVAZEBAPSH-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.73
Rot. Bonds3

About 1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone

1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone (PubChem CID 65360640) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone
PubChem CID65360640
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone
SMILESCn1ncc(C(=O)Cc2cc(Cl)ccc2Cl)c1N
InChIInChI=1S/C12H11Cl2N3O/c1-17-12(15)9(6-16-17)11(18)5-7-4-8(13)2-3-10(7)14/h2-4,6H,5,15H2,1H3
InChIKeyUADLIVAZEBAPSH-UHFFFAOYSA-N
XLogP2.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105102608
1-(5-amino-1-methylpyrazol-4-yl)-2-(3,4-difluorophenyl)ethanone
CID 82919912
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105135709
(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone
CID 65360377
(4-chlorophenyl) 5-amino-1-methylpyrazole-4-carboxylate
CID 117213683
1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone
CID 104799005
2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105102625
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide
CID 176657421
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973882

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone (CID 65360640) is 1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone is Cn1ncc(C(=O)Cc2cc(Cl)ccc2Cl)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone?
The InChIKey is UADLIVAZEBAPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-17-12(15)9(6-16-17)11(18)5-7-4-8(13)2-3-10(7)14/h2-4,6H,5,15H2,1H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone?
1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone has a molecular weight of 284.15 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 65360640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).