2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one

C15H14N4O2 — CID 39895186

IUPAC2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1c2ncn(CC(=O)c3ccccc3)c(=O)c2nn1C
InChIInChI=1S/C15H14N4O2/c1-10-13-14(17-18(10)2)15(21)19(9-16-13)8-12(20)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeySLGWBCPUEDNFPH-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.32
Rot. Bonds3

About 2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one

2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 39895186) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one
PubChem CID39895186
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1c2ncn(CC(=O)c3ccccc3)c(=O)c2nn1C
InChIInChI=1S/C15H14N4O2/c1-10-13-14(17-18(10)2)15(21)19(9-16-13)8-12(20)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeySLGWBCPUEDNFPH-UHFFFAOYSA-N
XLogP1.32
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one (CID 39895186) is 2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one is Cc1c2ncn(CC(=O)c3ccccc3)c(=O)c2nn1C.
What is the InChIKey of 2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is SLGWBCPUEDNFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-13-14(17-18(10)2)15(21)19(9-16-13)8-12(20)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one?
2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 282.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-phenacylpyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 39895186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).