4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine

C17H20N6O2S2 — CID 122337353

IUPAC4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)s1
InChIInChI=1S/C17H20N6O2S2/c1-2-14-4-5-17(26-14)27(24,25)22-10-8-21(9-11-22)15-12-16(19-13-18-15)23-7-3-6-20-23/h3-7,12-13H,2,8-11H2,1H3
InChIKeyXMRIAPNDSJFZGS-UHFFFAOYSA-N
MW404.52 g/mol
LogP1.80
Rot. Bonds5

About 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine

4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine (PubChem CID 122337353) has the molecular formula C17H20N6O2S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
PubChem CID122337353
Molecular FormulaC17H20N6O2S2
Molecular Weight404.52 g/mol
Exact Mass404.11
IUPAC Name4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)s1
InChIInChI=1S/C17H20N6O2S2/c1-2-14-4-5-17(26-14)27(24,25)22-10-8-21(9-11-22)15-12-16(19-13-18-15)23-7-3-6-20-23/h3-7,12-13H,2,8-11H2,1H3
InChIKeyXMRIAPNDSJFZGS-UHFFFAOYSA-N
XLogP1.80
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338861
4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337415
4-pyrazol-1-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121072473
3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490653
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 90561924
4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 90494131
4-(4,5-dimethylimidazol-1-yl)-6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345227
4-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 121072515
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
CID 113075282
1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333152
4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337413

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine (CID 122337353) is 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine is CCc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)s1.
What is the InChIKey of 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The InChIKey is XMRIAPNDSJFZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S2/c1-2-14-4-5-17(26-14)27(24,25)22-10-8-21(9-11-22)15-12-16(19-13-18-15)23-7-3-6-20-23/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine has a molecular weight of 404.52 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 122337353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).