N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide

C21H13F6N5O2 — CID 162645725

IUPACN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1noc(-c2cnn(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)c2C(F)(F)F)n1
InChIInChI=1S/C21H13F6N5O2/c1-11-29-19(34-31-11)16-10-28-32(17(16)21(25,26)27)15-8-6-14(7-9-15)30-18(33)12-2-4-13(5-3-12)20(22,23)24/h2-10H,1H3,(H,30,33)
InChIKeyAXHYWBFLVJFISG-UHFFFAOYSA-N
MW481.36 g/mol
LogP5.52
Rot. Bonds4

About N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide

N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 162645725) has the molecular formula C21H13F6N5O2 and a molecular weight of 481.36 g/mol. Its IUPAC name is N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID162645725
Molecular FormulaC21H13F6N5O2
Molecular Weight481.36 g/mol
Exact Mass481.10
IUPAC NameN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1noc(-c2cnn(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)c2C(F)(F)F)n1
InChIInChI=1S/C21H13F6N5O2/c1-11-29-19(34-31-11)16-10-28-32(17(16)21(25,26)27)15-8-6-14(7-9-15)30-18(33)12-2-4-13(5-3-12)20(22,23)24/h2-10H,1H3,(H,30,33)
InChIKeyAXHYWBFLVJFISG-UHFFFAOYSA-N
XLogP5.52
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.36
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide 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 N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 162645725) is N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide is Cc1noc(-c2cnn(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)c2C(F)(F)F)n1.
What is the InChIKey of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is AXHYWBFLVJFISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N5O2/c1-11-29-19(34-31-11)16-10-28-32(17(16)21(25,26)27)15-8-6-14(7-9-15)30-18(33)12-2-4-13(5-3-12)20(22,23)24/h2-10H,1H3,(H,30,33).
What are the key properties of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide?
N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 481.36 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 162645725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).