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

C14H14N4O — CID 135626444

IUPAC1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1ccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)cc1
InChIInChI=1S/C14H14N4O/c1-8-4-6-10(7-5-8)13-15-11-9(2)17-18(3)12(11)14(19)16-13/h4-7H,1-3H3,(H,15,16,19)
InChIKeyQZRCXHGSQUSAJT-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.94
Rot. Bonds1

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

1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135626444) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135626444
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1ccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)cc1
InChIInChI=1S/C14H14N4O/c1-8-4-6-10(7-5-8)13-15-11-9(2)17-18(3)12(11)14(19)16-13/h4-7H,1-3H3,(H,15,16,19)
InChIKeyQZRCXHGSQUSAJT-UHFFFAOYSA-N
XLogP1.94
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1,5-dimethyl-N-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carboxamide
CID 841163
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
5-(4-Amino-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626433
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-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 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135626444) is 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cc1ccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)cc1.
What is the InChIKey of 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is QZRCXHGSQUSAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-4-6-10(7-5-8)13-15-11-9(2)17-18(3)12(11)14(19)16-13/h4-7H,1-3H3,(H,15,16,19).
What are the key properties of 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 254.29 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135626444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).