2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide

C30H24F6N6O2 — CID 86275987

IUPAC2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(-c2cccc(C(C)(C)C(N)=O)c2)cc1-n1nncc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C30H24F6N6O2/c1-28(2,27(37)43)20-6-4-5-18(13-20)19-9-12-22(23-15-26(29(31,32)33)39-41(23)3)24(14-19)42-25(16-38-40-42)17-7-10-21(11-8-17)44-30(34,35)36/h4-16H,1-3H3,(H2,37,43)
InChIKeyFUVGDRSNHNTGBJ-UHFFFAOYSA-N
MW614.55 g/mol
LogP6.68
Rot. Bonds7

About 2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide

2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide (PubChem CID 86275987) has the molecular formula C30H24F6N6O2 and a molecular weight of 614.55 g/mol. Its IUPAC name is 2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide
PubChem CID86275987
Molecular FormulaC30H24F6N6O2
Molecular Weight614.55 g/mol
Exact Mass614.19
IUPAC Name2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(-c2cccc(C(C)(C)C(N)=O)c2)cc1-n1nncc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C30H24F6N6O2/c1-28(2,27(37)43)20-6-4-5-18(13-20)19-9-12-22(23-15-26(29(31,32)33)39-41(23)3)24(14-19)42-25(16-38-40-42)17-7-10-21(11-8-17)44-30(34,35)36/h4-16H,1-3H3,(H2,37,43)
InChIKeyFUVGDRSNHNTGBJ-UHFFFAOYSA-N
XLogP6.68
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.55
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide 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-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide?
The IUPAC name of 2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide (CID 86275987) is 2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide is Cn1nc(C(F)(F)F)cc1-c1ccc(-c2cccc(C(C)(C)C(N)=O)c2)cc1-n1nncc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide?
The InChIKey is FUVGDRSNHNTGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F6N6O2/c1-28(2,27(37)43)20-6-4-5-18(13-20)19-9-12-22(23-15-26(29(31,32)33)39-41(23)3)24(14-19)42-25(16-38-40-42)17-7-10-21(11-8-17)44-30(34,35)36/h4-16H,1-3H3,(H2,37,43).
What are the key properties of 2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide?
2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide has a molecular weight of 614.55 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]phenyl]propanamide is sourced from PubChem (CID 86275987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).