6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

C18H19N5O2 — CID 91891167

IUPAC6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cn2nc(C(=O)N3CCN(c4ccccc4)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C18H19N5O2/c1-13-12-23-16(17(24)19-13)11-15(20-23)18(25)22-9-7-21(8-10-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,19,24)
InChIKeyDMSOCUOCQYMWFS-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.29
Rot. Bonds2

About 6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91891167) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91891167
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cn2nc(C(=O)N3CCN(c4ccccc4)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C18H19N5O2/c1-13-12-23-16(17(24)19-13)11-15(20-23)18(25)22-9-7-21(8-10-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,19,24)
InChIKeyDMSOCUOCQYMWFS-UHFFFAOYSA-N
XLogP1.29
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(4-phenylpiperazine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849778
1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 91919208
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853153
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109319693
2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one
CID 53194342
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910
[6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109123155
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331562
1-[2,4-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17391426
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 91891167) is 6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1cn2nc(C(=O)N3CCN(c4ccccc4)CC3)cc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DMSOCUOCQYMWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-12-23-16(17(24)19-13)11-15(20-23)18(25)22-9-7-21(8-10-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,19,24).
What are the key properties of 6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 337.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91891167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).