4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine

C18H19FN6O2S — CID 50944762

IUPAC4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
SMILESCc1nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C18H19FN6O2S/c1-14-21-17(13-18(22-14)25-8-4-7-20-25)23-9-11-24(12-10-23)28(26,27)16-6-3-2-5-15(16)19/h2-8,13H,9-12H2,1H3
InChIKeyCYYUNCCRVNMROK-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.62
Rot. Bonds4

About 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine

4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine (PubChem CID 50944762) has the molecular formula C18H19FN6O2S and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
PubChem CID50944762
Molecular FormulaC18H19FN6O2S
Molecular Weight402.46 g/mol
Exact Mass402.13
IUPAC Name4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
SMILESCc1nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C18H19FN6O2S/c1-14-21-17(13-18(22-14)25-8-4-7-20-25)23-9-11-24(12-10-23)28(26,27)16-6-3-2-5-15(16)19/h2-8,13H,9-12H2,1H3
InChIKeyCYYUNCCRVNMROK-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 122337856
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 121072422
2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 121072523
4-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 30868047
4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 122337914
N-[3-methyl-4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 122337887
2-methyl-4-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337886
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 50947923
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 122337885
2-methyl-4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337910
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56699842
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
CID 56700392

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine (CID 50944762) is 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine is Cc1nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The InChIKey is CYYUNCCRVNMROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2S/c1-14-21-17(13-18(22-14)25-8-4-7-20-25)23-9-11-24(12-10-23)28(26,27)16-6-3-2-5-15(16)19/h2-8,13H,9-12H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine has a molecular weight of 402.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 50944762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).