5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C13H13N5O — CID 135626433

IUPAC5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)[nH]c(-c3ccc(N)cc3)nc12
InChIInChI=1S/C13H13N5O/c1-7-10-11(18(2)17-7)13(19)16-12(15-10)8-3-5-9(14)6-4-8/h3-6H,14H2,1-2H3,(H,15,16,19)
InChIKeyADQCDAFPEZXGEW-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.21
Rot. Bonds1

About 5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135626433) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135626433
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)[nH]c(-c3ccc(N)cc3)nc12
InChIInChI=1S/C13H13N5O/c1-7-10-11(18(2)17-7)13(19)16-12(15-10)8-3-5-9(14)6-4-8/h3-6H,14H2,1-2H3,(H,15,16,19)
InChIKeyADQCDAFPEZXGEW-UHFFFAOYSA-N
XLogP1.21
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoroethyl)-3-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 137305682
N5-(4-methylphenyl)-1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxamide
CID 2744532
5-(4-Chloro-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626422
1,3-Dimethyl-5-(4-nitro-phenyl)-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626430
1-Ethyl-3-methyl-5-pyridin-4-yl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626434
5-Benzyl-1-ethyl-3-methyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626435
1-Ethyl-3-methyl-5-phenyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626436
5-(2-Amino-4-chloro-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626438
5-(3,4-Dichloro-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626440
1,3-Dimethyl-5-p-tolyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626444
1,3-Dimethyl-5-pyridin-4-yl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626445
5-methyl-1-(2,2,2-trifluoroethyl)-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 137157979

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135626433) is 5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cc1nn(C)c2c(=O)[nH]c(-c3ccc(N)cc3)nc12.
What is the InChIKey of 5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is ADQCDAFPEZXGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-7-10-11(18(2)17-7)13(19)16-12(15-10)8-3-5-9(14)6-4-8/h3-6H,14H2,1-2H3,(H,15,16,19).
What are the key properties of 5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 255.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135626433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).