5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C12H14N6O — CID 136515942

IUPAC5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(Cn2cnc3c(cnn3C)c2=O)nn1C
InChIInChI=1S/C12H14N6O/c1-8-4-9(15-16(8)2)6-18-7-13-11-10(12(18)19)5-14-17(11)3/h4-5,7H,6H2,1-3H3
InChIKeyWZBTZBORBYHDRG-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.22
Rot. Bonds2

About 5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136515942) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136515942
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(Cn2cnc3c(cnn3C)c2=O)nn1C
InChIInChI=1S/C12H14N6O/c1-8-4-9(15-16(8)2)6-18-7-13-11-10(12(18)19)5-14-17(11)3/h4-5,7H,6H2,1-3H3
InChIKeyWZBTZBORBYHDRG-UHFFFAOYSA-N
XLogP0.22
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 136515942) is 5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(Cn2cnc3c(cnn3C)c2=O)nn1C.
What is the InChIKey of 5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WZBTZBORBYHDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-8-4-9(15-16(8)2)6-18-7-13-11-10(12(18)19)5-14-17(11)3/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 258.28 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136515942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).