4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one

C15H17N7O — CID 95799988

IUPAC4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one
SMILESCc1cc(N2CCNC(=O)C2)n2nc(-c3nccn3C)cc2n1
InChIInChI=1S/C15H17N7O/c1-10-7-14(21-6-4-16-13(23)9-21)22-12(18-10)8-11(19-22)15-17-3-5-20(15)2/h3,5,7-8H,4,6,9H2,1-2H3,(H,16,23)
InChIKeyVKTRRNDFKLHLLP-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.37
Rot. Bonds2

About 4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one

4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one (PubChem CID 95799988) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one
PubChem CID95799988
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one
SMILESCc1cc(N2CCNC(=O)C2)n2nc(-c3nccn3C)cc2n1
InChIInChI=1S/C15H17N7O/c1-10-7-14(21-6-4-16-13(23)9-21)22-12(18-10)8-11(19-22)15-17-3-5-20(15)2/h3,5,7-8H,4,6,9H2,1-2H3,(H,16,23)
InChIKeyVKTRRNDFKLHLLP-UHFFFAOYSA-N
XLogP0.37
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
The IUPAC name of 4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one (CID 95799988) is 4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
The canonical SMILES for 4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one is Cc1cc(N2CCNC(=O)C2)n2nc(-c3nccn3C)cc2n1.
What is the InChIKey of 4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
The InChIKey is VKTRRNDFKLHLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-10-7-14(21-6-4-16-13(23)9-21)22-12(18-10)8-11(19-22)15-17-3-5-20(15)2/h3,5,7-8H,4,6,9H2,1-2H3,(H,16,23).
What are the key properties of 4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one?
4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one has a molecular weight of 311.35 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one is sourced from PubChem (CID 95799988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).