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

C14H10F3N5O — CID 2741018

IUPACN'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESNC(=NO)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)9-3-1-2-8(6-9)11-4-5-19-13-10(12(18)21-23)7-20-22(11)13/h1-7,23H,(H2,18,21)
InChIKeyPZKPQONZOSUNSL-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.51
Rot. Bonds2

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

N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide (PubChem CID 2741018) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
PubChem CID2741018
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC NameN'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESNC(=NO)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)9-3-1-2-8(6-9)11-4-5-19-13-10(12(18)21-23)7-20-22(11)13/h1-7,23H,(H2,18,21)
InChIKeyPZKPQONZOSUNSL-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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Related Compounds

1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
CID 23329841
7-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 141183994
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 24969569
7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 14501865
N'-hydroxy-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 87187050
5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
CID 10023842
7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 11149552
N'-hydroxy-4-[3-(trifluoromethyl)phenyl]pyrimidine-2-carboximidamide
CID 137159118
3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103260
ethyl 7-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969483
N-benzyl-7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24970079
3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 140652262

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide (CID 2741018) is N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide is NC(=NO)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12.
What is the InChIKey of N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The InChIKey is PZKPQONZOSUNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c15-14(16,17)9-3-1-2-8(6-9)11-4-5-19-13-10(12(18)21-23)7-20-22(11)13/h1-7,23H,(H2,18,21).
What are the key properties of N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?
N'-hydroxy-7-[3-(trifluoromethyl)phenyl]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-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide is sourced from PubChem (CID 2741018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).