1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine

C14H21F3N4O3S — CID 170144103

IUPAC1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine
SMILESCn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C14H21F3N4O3S/c1-19-13(8-12(18-19)14(15,16)17)25(22,23)21-5-3-20(4-6-21)9-11-2-7-24-10-11/h8,11H,2-7,9-10H2,1H3
InChIKeyLJTDDYGGVDIUNF-UHFFFAOYSA-N
MW382.41 g/mol
LogP0.78
Rot. Bonds4

About 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine

1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine (PubChem CID 170144103) has the molecular formula C14H21F3N4O3S and a molecular weight of 382.41 g/mol. Its IUPAC name is 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine
PubChem CID170144103
Molecular FormulaC14H21F3N4O3S
Molecular Weight382.41 g/mol
Exact Mass382.13
IUPAC Name1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine
SMILESCn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C14H21F3N4O3S/c1-19-13(8-12(18-19)14(15,16)17)25(22,23)21-5-3-20(4-6-21)9-11-2-7-24-10-11/h8,11H,2-7,9-10H2,1H3
InChIKeyLJTDDYGGVDIUNF-UHFFFAOYSA-N
XLogP0.78
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine 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 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine?
The IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine (CID 170144103) is 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine?
The canonical SMILES for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine is Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN(CC2CCOC2)CC1.
What is the InChIKey of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine?
The InChIKey is LJTDDYGGVDIUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O3S/c1-19-13(8-12(18-19)14(15,16)17)25(22,23)21-5-3-20(4-6-21)9-11-2-7-24-10-11/h8,11H,2-7,9-10H2,1H3.
What are the key properties of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine?
1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine has a molecular weight of 382.41 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-4-(oxolan-3-ylmethyl)piperazine is sourced from PubChem (CID 170144103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).