1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

C20H21N5O4S — CID 55966550

IUPAC1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn4cccnc34)CC2)c1
InChIInChI=1S/C20H21N5O4S/c1-14-18(19-21-7-4-8-25(19)22-14)20(27)23-9-11-24(12-10-23)30(28,29)17-6-3-5-16(13-17)15(2)26/h3-8,13H,9-12H2,1-2H3
InChIKeyYHAQCIRGSDVLDT-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.39
Rot. Bonds4

About 1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone (PubChem CID 55966550) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
PubChem CID55966550
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn4cccnc34)CC2)c1
InChIInChI=1S/C20H21N5O4S/c1-14-18(19-21-7-4-8-25(19)22-14)20(27)23-9-11-24(12-10-23)30(28,29)17-6-3-5-16(13-17)15(2)26/h3-8,13H,9-12H2,1-2H3
InChIKeyYHAQCIRGSDVLDT-UHFFFAOYSA-N
XLogP1.39
TPSA104.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55820590
[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55980091
1-[3-fluoro-4-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87045018
(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87045188
(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824640
ethyl 6-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
CID 55633073
1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone
CID 55821870
1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 110818095
1-[3-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 56550483
1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 55996847
2-(4-chlorophenoxy)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 55888174
1-[4-(3-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797800

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone (CID 55966550) is 1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn4cccnc34)CC2)c1.
What is the InChIKey of 1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is YHAQCIRGSDVLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-14-18(19-21-7-4-8-25(19)22-14)20(27)23-9-11-24(12-10-23)30(28,29)17-6-3-5-16(13-17)15(2)26/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 427.49 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 55966550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).