[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

C15H20F2N6O3S — CID 17025405

IUPAC[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(F)F)n3)CC2)cnn1C
InChIInChI=1S/C15H20F2N6O3S/c1-10-8-12(19-23(10)15(16)17)14(24)21-4-6-22(7-5-21)27(25,26)13-9-18-20(3)11(13)2/h8-9,15H,4-7H2,1-3H3
InChIKeyAOGPMLBTOJPGRG-UHFFFAOYSA-N
MW402.43 g/mol
LogP0.78
Rot. Bonds4

About [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 17025405) has the molecular formula C15H20F2N6O3S and a molecular weight of 402.43 g/mol. Its IUPAC name is [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID17025405
Molecular FormulaC15H20F2N6O3S
Molecular Weight402.43 g/mol
Exact Mass402.13
IUPAC Name[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(F)F)n3)CC2)cnn1C
InChIInChI=1S/C15H20F2N6O3S/c1-10-8-12(19-23(10)15(16)17)14(24)21-4-6-22(7-5-21)27(25,26)13-9-18-20(3)11(13)2/h8-9,15H,4-7H2,1-3H3
InChIKeyAOGPMLBTOJPGRG-UHFFFAOYSA-N
XLogP0.78
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 17025405) is [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is Cc1c(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(F)F)n3)CC2)cnn1C.
What is the InChIKey of [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is AOGPMLBTOJPGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N6O3S/c1-10-8-12(19-23(10)15(16)17)14(24)21-4-6-22(7-5-21)27(25,26)13-9-18-20(3)11(13)2/h8-9,15H,4-7H2,1-3H3.
What are the key properties of [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 402.43 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 17025405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).