1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide

C19H14F4N4O2 — CID 38815516

IUPAC1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H14F4N4O2/c20-13-4-6-15(7-5-13)27-9-8-16(26-27)18(29)25-14-3-1-2-12(10-14)17(28)24-11-19(21,22)23/h1-10H,11H2,(H,24,28)(H,25,29)
InChIKeyYFANCDGBHRJDRZ-UHFFFAOYSA-N
MW406.34 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 38815516) has the molecular formula C19H14F4N4O2 and a molecular weight of 406.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID38815516
Molecular FormulaC19H14F4N4O2
Molecular Weight406.34 g/mol
Exact Mass406.11
IUPAC Name1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H14F4N4O2/c20-13-4-6-15(7-5-13)27-9-8-16(26-27)18(29)25-14-3-1-2-12(10-14)17(28)24-11-19(21,22)23/h1-10H,11H2,(H,24,28)(H,25,29)
InChIKeyYFANCDGBHRJDRZ-UHFFFAOYSA-N
XLogP3.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-3-carboxamide
CID 43071783
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38825065
1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide
CID 71845909
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38735899
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 162568619
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38827016
1-(3-nitrophenyl)-N-[3-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 46485583
N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38802898
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 17444241
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide (CID 38815516) is 1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide is O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is YFANCDGBHRJDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O2/c20-13-4-6-15(7-5-13)27-9-8-16(26-27)18(29)25-14-3-1-2-12(10-14)17(28)24-11-19(21,22)23/h1-10H,11H2,(H,24,28)(H,25,29).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 406.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 38815516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).