[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

C17H20F2N4O3S — CID 16677764

IUPAC[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n[nH]1
InChIInChI=1S/C17H20F2N4O3S/c1-2-3-12-10-16(21-20-12)17(24)22-6-8-23(9-7-22)27(25,26)13-4-5-14(18)15(19)11-13/h4-5,10-11H,2-3,6-9H2,1H3,(H,20,21)
InChIKeySKHHVQIROGKALO-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.79
Rot. Bonds5

About [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 16677764) has the molecular formula C17H20F2N4O3S and a molecular weight of 398.44 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID16677764
Molecular FormulaC17H20F2N4O3S
Molecular Weight398.44 g/mol
Exact Mass398.12
IUPAC Name[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n[nH]1
InChIInChI=1S/C17H20F2N4O3S/c1-2-3-12-10-16(21-20-12)17(24)22-6-8-23(9-7-22)27(25,26)13-4-5-14(18)15(19)11-13/h4-5,10-11H,2-3,6-9H2,1H3,(H,20,21)
InChIKeySKHHVQIROGKALO-UHFFFAOYSA-N
XLogP1.79
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 16677764) is [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n[nH]1.
What is the InChIKey of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is SKHHVQIROGKALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O3S/c1-2-3-12-10-16(21-20-12)17(24)22-6-8-23(9-7-22)27(25,26)13-4-5-14(18)15(19)11-13/h4-5,10-11H,2-3,6-9H2,1H3,(H,20,21).
What are the key properties of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 398.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 16677764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).