1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

C21H12F6N4O — CID 134609766

IUPAC1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccc3ccccc23)c1C(F)(F)F
InChIInChI=1S/C21H12F6N4O/c22-20(23,24)17-10-13(8-9-28-17)30-19(32)15-11-29-31(18(15)21(25,26)27)16-7-3-5-12-4-1-2-6-14(12)16/h1-11H,(H,28,30,32)
InChIKeySKHWBLUYELBFEC-UHFFFAOYSA-N
MW450.34 g/mol
LogP5.71
Rot. Bonds3

About 1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (PubChem CID 134609766) has the molecular formula C21H12F6N4O and a molecular weight of 450.34 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
PubChem CID134609766
Molecular FormulaC21H12F6N4O
Molecular Weight450.34 g/mol
Exact Mass450.09
IUPAC Name1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccc3ccccc23)c1C(F)(F)F
InChIInChI=1S/C21H12F6N4O/c22-20(23,24)17-10-13(8-9-28-17)30-19(32)15-11-29-31(18(15)21(25,26)27)16-7-3-5-12-4-1-2-6-14(12)16/h1-11H,(H,28,30,32)
InChIKeySKHWBLUYELBFEC-UHFFFAOYSA-N
XLogP5.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.34
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide 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-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (CID 134609766) is 1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is O=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccc3ccccc23)c1C(F)(F)F.
What is the InChIKey of 1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is SKHWBLUYELBFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F6N4O/c22-20(23,24)17-10-13(8-9-28-17)30-19(32)15-11-29-31(18(15)21(25,26)27)16-7-3-5-12-4-1-2-6-14(12)16/h1-11H,(H,28,30,32).
What are the key properties of 1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 450.34 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134609766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).