2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide

C19H15F6N3O — CID 89157606

IUPAC2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCN1C=CC(C(=O)Nc2ccccc2-c2ccccc2C(F)(F)F)(C(F)(F)F)N1
InChIInChI=1S/C19H15F6N3O/c1-28-11-10-17(27-28,19(23,24)25)16(29)26-15-9-5-3-7-13(15)12-6-2-4-8-14(12)18(20,21)22/h2-11,27H,1H3,(H,26,29)
InChIKeyBNFJFJLLGCJKKI-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.58
Rot. Bonds3

About 2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide

2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 89157606) has the molecular formula C19H15F6N3O and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID89157606
Molecular FormulaC19H15F6N3O
Molecular Weight415.34 g/mol
Exact Mass415.11
IUPAC Name2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCN1C=CC(C(=O)Nc2ccccc2-c2ccccc2C(F)(F)F)(C(F)(F)F)N1
InChIInChI=1S/C19H15F6N3O/c1-28-11-10-17(27-28,19(23,24)25)16(29)26-15-9-5-3-7-13(15)12-6-2-4-8-14(12)18(20,21)22/h2-11,27H,1H3,(H,26,29)
InChIKeyBNFJFJLLGCJKKI-UHFFFAOYSA-N
XLogP4.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide (CID 89157606) is 2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide is CN1C=CC(C(=O)Nc2ccccc2-c2ccccc2C(F)(F)F)(C(F)(F)F)N1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is BNFJFJLLGCJKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N3O/c1-28-11-10-17(27-28,19(23,24)25)16(29)26-15-9-5-3-7-13(15)12-6-2-4-8-14(12)18(20,21)22/h2-11,27H,1H3,(H,26,29).
What are the key properties of 2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 415.34 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 89157606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).