1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C20H18F3N3O — CID 2811262

IUPAC1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H18F3N3O/c1-2-6-18-17(13-24-26(18)16-7-4-3-5-8-16)19(27)25-15-11-9-14(10-12-15)20(21,22)23/h3-5,7-13H,2,6H2,1H3,(H,25,27)
InChIKeyYGPAHBCFENFJSJ-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.10
Rot. Bonds5

About 1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 2811262) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID2811262
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H18F3N3O/c1-2-6-18-17(13-24-26(18)16-7-4-3-5-8-16)19(27)25-15-11-9-14(10-12-15)20(21,22)23/h3-5,7-13H,2,6H2,1H3,(H,25,27)
InChIKeyYGPAHBCFENFJSJ-UHFFFAOYSA-N
XLogP5.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]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-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 2811262) is 1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is CCCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is YGPAHBCFENFJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-2-6-18-17(13-24-26(18)16-7-4-3-5-8-16)19(27)25-15-11-9-14(10-12-15)20(21,22)23/h3-5,7-13H,2,6H2,1H3,(H,25,27).
What are the key properties of 1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 2811262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).