1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine

C15H18F2N4O2S — CID 113079952

IUPAC1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H18F2N4O2S/c1-10-15(11(2)19-18-10)24(22,23)21-7-5-20(6-8-21)14-4-3-12(16)9-13(14)17/h3-4,9H,5-8H2,1-2H3,(H,18,19)
InChIKeyIKEGUPFTSRDIHR-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.82
Rot. Bonds3

About 1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine

1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine (PubChem CID 113079952) has the molecular formula C15H18F2N4O2S and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
PubChem CID113079952
Molecular FormulaC15H18F2N4O2S
Molecular Weight356.40 g/mol
Exact Mass356.11
IUPAC Name1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H18F2N4O2S/c1-10-15(11(2)19-18-10)24(22,23)21-7-5-20(6-8-21)14-4-3-12(16)9-13(14)17/h3-4,9H,5-8H2,1-2H3,(H,18,19)
InChIKeyIKEGUPFTSRDIHR-UHFFFAOYSA-N
XLogP1.82
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-difluorophenyl)-fluoromethylidene]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 86580868
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 110398726
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
CID 46976898
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110328664
N-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335810
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine
CID 110413563
4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335366
1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113079942
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-fluoro-2,3-dihydro-1,4-benzoxazine
CID 110639399

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine (CID 113079952) is 1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The InChIKey is IKEGUPFTSRDIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2S/c1-10-15(11(2)19-18-10)24(22,23)21-7-5-20(6-8-21)14-4-3-12(16)9-13(14)17/h3-4,9H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine has a molecular weight of 356.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine is sourced from PubChem (CID 113079952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).