N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide

C14H10F3N5O — CID 87187050

IUPACN'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESN/C(=N\O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)11-6-10(8-4-2-1-3-5-8)20-13-9(12(18)21-23)7-19-22(11)13/h1-7,23H,(H2,18,21)
InChIKeyIVEJCRDFUUBYCC-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.51
Rot. Bonds2

About N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide

N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide (PubChem CID 87187050) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
PubChem CID87187050
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC NameN'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESN/C(=N\O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)11-6-10(8-4-2-1-3-5-8)20-13-9(12(18)21-23)7-19-22(11)13/h1-7,23H,(H2,18,21)
InChIKeyIVEJCRDFUUBYCC-UHFFFAOYSA-N
XLogP2.51
TPSA88.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide (CID 87187050) is N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide is N/C(=N\O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The InChIKey is IVEJCRDFUUBYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c15-14(16,17)11-6-10(8-4-2-1-3-5-8)20-13-9(12(18)21-23)7-19-22(11)13/h1-7,23H,(H2,18,21).
What are the key properties of N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide has a molecular weight of 321.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide is sourced from PubChem (CID 87187050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).