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

C15H19FN4O2S — CID 4151084

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H19FN4O2S/c1-11-15(12(2)18-17-11)23(21,22)20-9-7-19(8-10-20)14-6-4-3-5-13(14)16/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyDLWBFLLWLNACEM-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.68
Rot. Bonds3

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

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine (PubChem CID 4151084) 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-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
PubChem CID4151084
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H19FN4O2S/c1-11-15(12(2)18-17-11)23(21,22)20-9-7-19(8-10-20)14-6-4-3-5-13(14)16/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyDLWBFLLWLNACEM-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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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine (CID 4151084) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is DLWBFLLWLNACEM-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)14-6-4-3-5-13(14)16/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-(2-fluorophenyl)piperazine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-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-(2-fluorophenyl)piperazine is sourced from PubChem (CID 4151084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).