N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide

C14H10F3N5 — CID 164612539

IUPACN'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide
SMILESN/C(=N\c1cccc(C(F)(F)F)c1)c1cc2cn[nH]c2cn1
InChIInChI=1S/C14H10F3N5/c15-14(16,17)9-2-1-3-10(5-9)21-13(18)11-4-8-6-20-22-12(8)7-19-11/h1-7H,(H2,18,21)(H,20,22)
InChIKeyOZDLZMXLOZSSQF-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.01
Rot. Bonds2

About N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide

N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide (PubChem CID 164612539) has the molecular formula C14H10F3N5 and a molecular weight of 305.26 g/mol. Its IUPAC name is N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide.

Molecular Properties

Compound NameN'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide
PubChem CID164612539
Molecular FormulaC14H10F3N5
Molecular Weight305.26 g/mol
Exact Mass305.09
IUPAC NameN'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide
SMILESN/C(=N\c1cccc(C(F)(F)F)c1)c1cc2cn[nH]c2cn1
InChIInChI=1S/C14H10F3N5/c15-14(16,17)9-2-1-3-10(5-9)21-13(18)11-4-8-6-20-22-12(8)7-19-11/h1-7H,(H2,18,21)(H,20,22)
InChIKeyOZDLZMXLOZSSQF-UHFFFAOYSA-N
XLogP3.01
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide?
The IUPAC name of N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide (CID 164612539) is N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide.
What is the SMILES notation for N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide?
The canonical SMILES for N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide is N/C(=N\c1cccc(C(F)(F)F)c1)c1cc2cn[nH]c2cn1.
What is the InChIKey of N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide?
The InChIKey is OZDLZMXLOZSSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5/c15-14(16,17)9-2-1-3-10(5-9)21-13(18)11-4-8-6-20-22-12(8)7-19-11/h1-7H,(H2,18,21)(H,20,22).
What are the key properties of N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide?
N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide has a molecular weight of 305.26 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboximidamide is sourced from PubChem (CID 164612539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).