2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one

C19H25F3N6O3S — CID 19536241

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)C(C)n3nc(C(F)(F)F)cc3C3CC3)CC2)cnn1C
InChIInChI=1S/C19H25F3N6O3S/c1-12-16(11-23-25(12)3)32(30,31)27-8-6-26(7-9-27)18(29)13(2)28-15(14-4-5-14)10-17(24-28)19(20,21)22/h10-11,13-14H,4-9H2,1-3H3
InChIKeyLWASIQFPXADQQH-UHFFFAOYSA-N
MW474.51 g/mol
LogP1.92
Rot. Bonds5

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 19536241) has the molecular formula C19H25F3N6O3S and a molecular weight of 474.51 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID19536241
Molecular FormulaC19H25F3N6O3S
Molecular Weight474.51 g/mol
Exact Mass474.17
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)C(C)n3nc(C(F)(F)F)cc3C3CC3)CC2)cnn1C
InChIInChI=1S/C19H25F3N6O3S/c1-12-16(11-23-25(12)3)32(30,31)27-8-6-26(7-9-27)18(29)13(2)28-15(14-4-5-14)10-17(24-28)19(20,21)22/h10-11,13-14H,4-9H2,1-3H3
InChIKeyLWASIQFPXADQQH-UHFFFAOYSA-N
XLogP1.92
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one (CID 19536241) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one is Cc1c(S(=O)(=O)N2CCN(C(=O)C(C)n3nc(C(F)(F)F)cc3C3CC3)CC2)cnn1C.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is LWASIQFPXADQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6O3S/c1-12-16(11-23-25(12)3)32(30,31)27-8-6-26(7-9-27)18(29)13(2)28-15(14-4-5-14)10-17(24-28)19(20,21)22/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 474.51 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 19536241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).