5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide

C11H9F3N4O — CID 89463969

IUPAC5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)nn(C(F)(F)F)c1N
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)18-9(15)7(10(16)19)8(17-18)6-4-2-1-3-5-6/h1-5H,15H2,(H2,16,19)
InChIKeyRHEXLRGHTPOZHC-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.71
Rot. Bonds2

About 5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide

5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 89463969) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID89463969
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)nn(C(F)(F)F)c1N
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)18-9(15)7(10(16)19)8(17-18)6-4-2-1-3-5-6/h1-5H,15H2,(H2,16,19)
InChIKeyRHEXLRGHTPOZHC-UHFFFAOYSA-N
XLogP1.71
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide (CID 89463969) is 5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide is NC(=O)c1c(-c2ccccc2)nn(C(F)(F)F)c1N.
What is the InChIKey of 5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RHEXLRGHTPOZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)18-9(15)7(10(16)19)8(17-18)6-4-2-1-3-5-6/h1-5H,15H2,(H2,16,19).
What are the key properties of 5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide?
5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-phenyl-1-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 89463969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).