[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

C15H19F3N6O3S — CID 19279487

IUPAC[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)CC2)cnn1C
InChIInChI=1S/C15H19F3N6O3S/c1-10-12(9-19-21(10)2)28(26,27)24-6-4-23(5-7-24)14(25)11-8-13(15(16,17)18)22(3)20-11/h8-9H,4-7H2,1-3H3
InChIKeyANPYSTONURTYHN-UHFFFAOYSA-N
MW420.42 g/mol
LogP0.63
Rot. Bonds3

About [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 19279487) has the molecular formula C15H19F3N6O3S and a molecular weight of 420.42 g/mol. Its IUPAC name is [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID19279487
Molecular FormulaC15H19F3N6O3S
Molecular Weight420.42 g/mol
Exact Mass420.12
IUPAC Name[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)CC2)cnn1C
InChIInChI=1S/C15H19F3N6O3S/c1-10-12(9-19-21(10)2)28(26,27)24-6-4-23(5-7-24)14(25)11-8-13(15(16,17)18)22(3)20-11/h8-9H,4-7H2,1-3H3
InChIKeyANPYSTONURTYHN-UHFFFAOYSA-N
XLogP0.63
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 19279487) is [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is Cc1c(S(=O)(=O)N2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)CC2)cnn1C.
What is the InChIKey of [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is ANPYSTONURTYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O3S/c1-10-12(9-19-21(10)2)28(26,27)24-6-4-23(5-7-24)14(25)11-8-13(15(16,17)18)22(3)20-11/h8-9H,4-7H2,1-3H3.
What are the key properties of [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 420.42 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 19279487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).