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

C15H19FN4O2S — CID 3590537

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4O2S/c1-11-15(12(2)18-17-11)23(21,22)20-9-7-19(8-10-20)14-5-3-13(16)4-6-14/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyHWJZGBIKSBYOIB-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.68
Rot. Bonds3

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

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine (PubChem CID 3590537) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine
PubChem CID3590537
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4O2S/c1-11-15(12(2)18-17-11)23(21,22)20-9-7-19(8-10-20)14-5-3-13(16)4-6-14/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyHWJZGBIKSBYOIB-UHFFFAOYSA-N
XLogP1.68
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 6465735
4-((2,4-Difluorophenyl)fluoromethylene)-1-(3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 86580868
N-(4-Chlorophenyl)-1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 86704304
N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3636535
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(3-fluorophenyl)sulfonylpiperazine
CID 8933454
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 20851628
N-(3-fluorophenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 53621658
N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 72121237
1-(2-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 110270602
1-(4-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 110270606
1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine
CID 110270729

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine (CID 3590537) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is HWJZGBIKSBYOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-11-15(12(2)18-17-11)23(21,22)20-9-7-19(8-10-20)14-5-3-13(16)4-6-14/h3-6H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 338.41 g/mol, XLogP of 1.68, 3 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)piperazine is sourced from PubChem (CID 3590537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).