1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine

C16H24F2N4O3S — CID 169161177

IUPAC1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine
SMILESO=S(=O)(c1cc(C(F)F)nn1C1CC1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C16H24F2N4O3S/c17-16(18)14-11-15(22(19-14)13-1-2-13)26(23,24)21-7-5-20(6-8-21)12-3-9-25-10-4-12/h11-13,16H,1-10H2
InChIKeyKZYIMRSYQSKLFX-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.64
Rot. Bonds5

About 1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine

1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine (PubChem CID 169161177) has the molecular formula C16H24F2N4O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine.

Molecular Properties

Compound Name1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine
PubChem CID169161177
Molecular FormulaC16H24F2N4O3S
Molecular Weight390.46 g/mol
Exact Mass390.15
IUPAC Name1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine
SMILESO=S(=O)(c1cc(C(F)F)nn1C1CC1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C16H24F2N4O3S/c17-16(18)14-11-15(22(19-14)13-1-2-13)26(23,24)21-7-5-20(6-8-21)12-3-9-25-10-4-12/h11-13,16H,1-10H2
InChIKeyKZYIMRSYQSKLFX-UHFFFAOYSA-N
XLogP1.64
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine?
The IUPAC name of 1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine (CID 169161177) is 1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine.
What is the SMILES notation for 1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine?
The canonical SMILES for 1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine is O=S(=O)(c1cc(C(F)F)nn1C1CC1)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine?
The InChIKey is KZYIMRSYQSKLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O3S/c17-16(18)14-11-15(22(19-14)13-1-2-13)26(23,24)21-7-5-20(6-8-21)12-3-9-25-10-4-12/h11-13,16H,1-10H2.
What are the key properties of 1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine?
1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine has a molecular weight of 390.46 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxan-4-yl)piperazine is sourced from PubChem (CID 169161177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).