3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide

C17H12F3N3O — CID 58121084

IUPAC3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)n[nH]1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-3-1-2-12(8-13)10-4-6-11(7-5-10)14-9-15(16(21)24)23-22-14/h1-9H,(H2,21,24)(H,22,23)
InChIKeyKTZOVICFLBHWTA-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.86
Rot. Bonds3

About 3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide

3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 58121084) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID58121084
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)n[nH]1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-3-1-2-12(8-13)10-4-6-11(7-5-10)14-9-15(16(21)24)23-22-14/h1-9H,(H2,21,24)(H,22,23)
InChIKeyKTZOVICFLBHWTA-UHFFFAOYSA-N
XLogP3.86
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
3-cyclopropyl-N'-[(E)-1-naphthylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6889175
5-Methyl-2H-pyrazole-3-carboxylic acid anthracen-9-ylmethylene-hydrazide
CID 9556533
3-methyl-N'-(2-naphthylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9556881
5-cyclopropyl-N-(1-phenylpropylideneamino)-1H-pyrazole-3-carboxamide
CID 9616968
5-Methyl-2H-pyrazole-3-carboxylic acid (1-biphenyl-4-yl-ethylidene)-hydrazide
CID 9592732
5-Phenyl-1H-pyrazole-3-carbaldehyde
CID 575563
N-benzyl-N-ethyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 16022660
3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46944140
3-tert-butyl-N'-(1-methyl-2-phenylethylidene)-1H-pyrazole-5-carbohydrazide
CID 5409281
4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 3116416
N,3-diphenyl-1H-pyrazole-5-carboxamide
CID 777792

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide (CID 58121084) is 3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide is NC(=O)c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)n[nH]1.
What is the InChIKey of 3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is KTZOVICFLBHWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)13-3-1-2-12(8-13)10-4-6-11(7-5-10)14-9-15(16(21)24)23-22-14/h1-9H,(H2,21,24)(H,22,23).
What are the key properties of 3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide?
3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 331.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58121084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).