3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one

C13H12ClN5O2 — CID 1477068

IUPAC3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCN(C)c1nc2c(c(N)nn2-c2ccc(Cl)cc2)c(=O)o1
InChIInChI=1S/C13H12ClN5O2/c1-18(2)13-16-11-9(12(20)21-13)10(15)17-19(11)8-5-3-7(14)4-6-8/h3-6H,1-2H3,(H2,15,17)
InChIKeyQTJSWOPYMHSKNE-UHFFFAOYSA-N
MW305.73 g/mol
LogP1.68
Rot. Bonds2

About 3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one

3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 1477068) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.73 g/mol. Its IUPAC name is 3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID1477068
Molecular FormulaC13H12ClN5O2
Molecular Weight305.73 g/mol
Exact Mass305.07
IUPAC Name3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCN(C)c1nc2c(c(N)nn2-c2ccc(Cl)cc2)c(=O)o1
InChIInChI=1S/C13H12ClN5O2/c1-18(2)13-16-11-9(12(20)21-13)10(15)17-19(11)8-5-3-7(14)4-6-8/h3-6H,1-2H3,(H2,15,17)
InChIKeyQTJSWOPYMHSKNE-UHFFFAOYSA-N
XLogP1.68
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 757292
3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one
CID 1477066
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,4-dichlorophenyl)-, ethyl ester
CID 157892
5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid
CID 3535707
2-Ethoxyethyl 5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxylate
CID 44573826
Ethyl 5-amino-3-(4-chloroanilino)-1-(2-hydroxyhexyl)pyrazole-4-carboxylate
CID 177651908
ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 4101804
methyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 33677640
6-Dimethylamino-1-phenyl-1h-pyrazolo[3,4-d][1,3]oxazin-4-one
CID 21672737
Ethyl 5-amino-1-(5-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxylate
CID 71255651
Ethyl 5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxylate
CID 71255703
Ethyl 5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 3376846

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one (CID 1477068) is 3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one is CN(C)c1nc2c(c(N)nn2-c2ccc(Cl)cc2)c(=O)o1.
What is the InChIKey of 3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is QTJSWOPYMHSKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c1-18(2)13-16-11-9(12(20)21-13)10(15)17-19(11)8-5-3-7(14)4-6-8/h3-6H,1-2H3,(H2,15,17).
What are the key properties of 3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one?
3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 305.73 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 1477068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).