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

C8H6F3N5O — CID 51525363

IUPACN'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESN/C(=N/O)c1cnn2c(C(F)(F)F)ccnc12
InChIInChI=1S/C8H6F3N5O/c9-8(10,11)5-1-2-13-7-4(6(12)15-17)3-14-16(5)7/h1-3,17H,(H2,12,15)
InChIKeyFGMBDTZKXPRHIQ-UHFFFAOYSA-N
MW245.16 g/mol
LogP0.84
Rot. Bonds1

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

N'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide (PubChem CID 51525363) has the molecular formula C8H6F3N5O and a molecular weight of 245.16 g/mol. Its IUPAC name is N'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
PubChem CID51525363
Molecular FormulaC8H6F3N5O
Molecular Weight245.16 g/mol
Exact Mass245.05
IUPAC NameN'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESN/C(=N/O)c1cnn2c(C(F)(F)F)ccnc12
InChIInChI=1S/C8H6F3N5O/c9-8(10,11)5-1-2-13-7-4(6(12)15-17)3-14-16(5)7/h1-3,17H,(H2,12,15)
InChIKeyFGMBDTZKXPRHIQ-UHFFFAOYSA-N
XLogP0.84
TPSA88.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 50.84
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-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide (CID 51525363) is N'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide is N/C(=N/O)c1cnn2c(C(F)(F)F)ccnc12.
What is the InChIKey of N'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The InChIKey is FGMBDTZKXPRHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5O/c9-8(10,11)5-1-2-13-7-4(6(12)15-17)3-14-16(5)7/h1-3,17H,(H2,12,15).
What are the key properties of N'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
N'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide has a molecular weight of 245.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide is sourced from PubChem (CID 51525363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).