1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide

C11H8F3N3O2 — CID 174205540

IUPAC1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(OC(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)19-9-6-8(10(15)18)17(16-9)7-4-2-1-3-5-7/h1-6H,(H2,15,18)
InChIKeyUSLDXCDFPFQIOV-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.87
Rot. Bonds3

About 1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide

1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide (PubChem CID 174205540) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide
PubChem CID174205540
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(OC(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)19-9-6-8(10(15)18)17(16-9)7-4-2-1-3-5-7/h1-6H,(H2,15,18)
InChIKeyUSLDXCDFPFQIOV-UHFFFAOYSA-N
XLogP1.87
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166817552
3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 174927898
1-[3-[2-fluoro-6-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
CID 53318774
1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide
CID 119138860
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 22250323
3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119628077
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119129360
1-[3-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 118355586
4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 141062484
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid
CID 11360434
3-[4-[2-(trifluoromethoxy)phenyl]phenyl]triazole-4-carboxylic acid
CID 175378379

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide?
The IUPAC name of 1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide (CID 174205540) is 1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide.
What is the SMILES notation for 1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide?
The canonical SMILES for 1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide is NC(=O)c1cc(OC(F)(F)F)nn1-c1ccccc1.
What is the InChIKey of 1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide?
The InChIKey is USLDXCDFPFQIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)19-9-6-8(10(15)18)17(16-9)7-4-2-1-3-5-7/h1-6H,(H2,15,18).
What are the key properties of 1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide?
1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide is sourced from PubChem (CID 174205540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).