1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine

C16H21FN4O2S — CID 110398726

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN4O2S/c1-12-16(13(2)19-18-12)24(22,23)21-9-7-20(8-10-21)11-14-3-5-15(17)6-4-14/h3-6H,7-11H2,1-2H3,(H,18,19)
InChIKeyGAKAUCYAQRACOF-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.67
Rot. Bonds4

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 110398726) has the molecular formula C16H21FN4O2S and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID110398726
Molecular FormulaC16H21FN4O2S
Molecular Weight352.44 g/mol
Exact Mass352.14
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN4O2S/c1-12-16(13(2)19-18-12)24(22,23)21-9-7-20(8-10-21)11-14-3-5-15(17)6-4-14/h3-6H,7-11H2,1-2H3,(H,18,19)
InChIKeyGAKAUCYAQRACOF-UHFFFAOYSA-N
XLogP1.67
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 3847753
1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110328664
1-[3-(4-chlorophenyl)propyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 110414132
1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 3698955
1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113079952
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine
CID 110413563
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
4-[(4-chlorophenyl)methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 86704291
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]acetonitrile
CID 28705369
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
1-(2-chloroethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepane
CID 63397082

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine (CID 110398726) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is GAKAUCYAQRACOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S/c1-12-16(13(2)19-18-12)24(22,23)21-9-7-20(8-10-21)11-14-3-5-15(17)6-4-14/h3-6H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 352.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 110398726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).