1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one

C13H14N8O — CID 133336935

IUPAC1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one
SMILESCn1cc(N2CCN(c3ncnc4nc[nH]c34)CC2=O)cn1
InChIInChI=1S/C13H14N8O/c1-19-5-9(4-18-19)21-3-2-20(6-10(21)22)13-11-12(15-7-14-11)16-8-17-13/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16,17)
InChIKeyWSFLBKVDNGVUGB-UHFFFAOYSA-N
MW298.31 g/mol
LogP-0.06
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one

1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one (PubChem CID 133336935) has the molecular formula C13H14N8O and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one
PubChem CID133336935
Molecular FormulaC13H14N8O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one
SMILESCn1cc(N2CCN(c3ncnc4nc[nH]c34)CC2=O)cn1
InChIInChI=1S/C13H14N8O/c1-19-5-9(4-18-19)21-3-2-20(6-10(21)22)13-11-12(15-7-14-11)16-8-17-13/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16,17)
InChIKeyWSFLBKVDNGVUGB-UHFFFAOYSA-N
XLogP-0.06
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one
CID 133336905
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
1-(1-methylpyrazol-4-yl)-4-(3-propan-2-yloxypyrazin-2-yl)piperazin-2-one
CID 133455216
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid
CID 168692424
2-methyl-6-(7H-purin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 171999143
(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine
CID 756697
2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 163352034
4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one
CID 133336960

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one (CID 133336935) is 1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one is Cn1cc(N2CCN(c3ncnc4nc[nH]c34)CC2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one?
The InChIKey is WSFLBKVDNGVUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O/c1-19-5-9(4-18-19)21-3-2-20(6-10(21)22)13-11-12(15-7-14-11)16-8-17-13/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16,17).
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one?
1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one has a molecular weight of 298.31 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-(7H-purin-6-yl)piperazin-2-one is sourced from PubChem (CID 133336935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).