1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide

C26H30F3N3O3S — CID 52913129

IUPAC1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide
SMILESCCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)CC3CCC3)c2)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H30F3N3O3S/c1-4-32-24(35-22-13-11-20(12-14-22)26(27,28)29)16-23(30-32)19-9-6-10-21(15-19)25(2,3)31-36(33,34)17-18-7-5-8-18/h6,9-16,18,31H,4-5,7-8,17H2,1-3H3
InChIKeyRZVBXBJTFWBPON-UHFFFAOYSA-N
MW521.61 g/mol
LogP6.34
Rot. Bonds9

About 1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide

1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide (PubChem CID 52913129) has the molecular formula C26H30F3N3O3S and a molecular weight of 521.61 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide
PubChem CID52913129
Molecular FormulaC26H30F3N3O3S
Molecular Weight521.61 g/mol
Exact Mass521.20
IUPAC Name1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide
SMILESCCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)CC3CCC3)c2)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H30F3N3O3S/c1-4-32-24(35-22-13-11-20(12-14-22)26(27,28)29)16-23(30-32)19-9-6-10-21(15-19)25(2,3)31-36(33,34)17-18-7-5-8-18/h6,9-16,18,31H,4-5,7-8,17H2,1-3H3
InChIKeyRZVBXBJTFWBPON-UHFFFAOYSA-N
XLogP6.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.61
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide 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-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide?
The IUPAC name of 1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide (CID 52913129) is 1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide?
The canonical SMILES for 1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide is CCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)CC3CCC3)c2)cc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide?
The InChIKey is RZVBXBJTFWBPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O3S/c1-4-32-24(35-22-13-11-20(12-14-22)26(27,28)29)16-23(30-32)19-9-6-10-21(15-19)25(2,3)31-36(33,34)17-18-7-5-8-18/h6,9-16,18,31H,4-5,7-8,17H2,1-3H3.
What are the key properties of 1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide?
1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide has a molecular weight of 521.61 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 52913129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).