4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide

C17H19ClF3N5O3S — CID 33008810

IUPAC4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)CC1
InChIInChI=1S/C17H19ClF3N5O3S/c1-23(2)30(28,29)25-9-7-24(8-10-25)16(27)14-11-22-26(15(14)17(19,20)21)13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyGKHUXJZTHXRNTO-UHFFFAOYSA-N
MW465.89 g/mol
LogP2.11
Rot. Bonds4

About 4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 33008810) has the molecular formula C17H19ClF3N5O3S and a molecular weight of 465.89 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID33008810
Molecular FormulaC17H19ClF3N5O3S
Molecular Weight465.89 g/mol
Exact Mass465.08
IUPAC Name4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)CC1
InChIInChI=1S/C17H19ClF3N5O3S/c1-23(2)30(28,29)25-9-7-24(8-10-25)16(27)14-11-22-26(15(14)17(19,20)21)13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeyGKHUXJZTHXRNTO-UHFFFAOYSA-N
XLogP2.11
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.89
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 33008810) is 4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is GKHUXJZTHXRNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N5O3S/c1-23(2)30(28,29)25-9-7-24(8-10-25)16(27)14-11-22-26(15(14)17(19,20)21)13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 465.89 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 33008810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).