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

C14H15N5O2 — CID 1477066

IUPAC3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCc1ccc(-n2nc(N)c3c(=O)oc(N(C)C)nc32)cc1
InChIInChI=1S/C14H15N5O2/c1-8-4-6-9(7-5-8)19-12-10(11(15)17-19)13(20)21-14(16-12)18(2)3/h4-7H,1-3H3,(H2,15,17)
InChIKeyJBDUQDUPYHRVJM-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.33
Rot. Bonds2

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

3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 1477066) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID1477066
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCc1ccc(-n2nc(N)c3c(=O)oc(N(C)C)nc32)cc1
InChIInChI=1S/C14H15N5O2/c1-8-4-6-9(7-5-8)19-12-10(11(15)17-19)13(20)21-14(16-12)18(2)3/h4-7H,1-3H3,(H2,15,17)
InChIKeyJBDUQDUPYHRVJM-UHFFFAOYSA-N
XLogP1.33
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
CID 4191879
Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
CID 703785
3-amino-1-(4-chlorophenyl)-6-(dimethylamino)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one
CID 1477068
5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 4559194
Methyl 5-amino-3-methyl-1-phenylpyrazole-4-carboxylate
CID 5309817
Ethyl 5-amino-1-(2-hydroxyhexyl)-3-(4-methylanilino)pyrazole-4-carboxylate
CID 177651427
6-Dimethylamino-1-phenyl-1h-pyrazolo[3,4-d][1,3]oxazin-4-one
CID 21672737
ethyl 5-amino-3-(4-toluidino)-1H-pyrazole-4-carboxylate
CID 12347783
methyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
CID 20967246
Ethyl 5-amino-1-(2-hydroxypentyl)-3-(4-methylanilino)pyrazole-4-carboxylate
CID 177659579
1-[4-(Trifluoromethyl)phenyl]-5-amino-1H-pyrazole-4-carboxylic acid ethyl ester
CID 10709253
Ethyl 5-amino-1-(3-(fluoromethyl)phenyl)-1H-pyrazole-4-carboxylate
CID 53421540

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one (CID 1477066) is 3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one is Cc1ccc(-n2nc(N)c3c(=O)oc(N(C)C)nc32)cc1.
What is the InChIKey of 3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is JBDUQDUPYHRVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-4-6-9(7-5-8)19-12-10(11(15)17-19)13(20)21-14(16-12)18(2)3/h4-7H,1-3H3,(H2,15,17).
What are the key properties of 3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one?
3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 285.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(dimethylamino)-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 1477066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).