5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide

C10H8F3N5 — CID 113321273

IUPAC5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2cc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)6-3-17-18(5-6)7-1-2-8(9(14)15)16-4-7/h1-5H,(H3,14,15)
InChIKeyZBYIYEALQQBRGT-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.57
Rot. Bonds2

About 5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide

5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide (PubChem CID 113321273) has the molecular formula C10H8F3N5 and a molecular weight of 255.20 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide
PubChem CID113321273
Molecular FormulaC10H8F3N5
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2cc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)6-3-17-18(5-6)7-1-2-8(9(14)15)16-4-7/h1-5H,(H3,14,15)
InChIKeyZBYIYEALQQBRGT-UHFFFAOYSA-N
XLogP1.57
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide?
The IUPAC name of 5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide (CID 113321273) is 5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide?
The canonical SMILES for 5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(-n2cc(C(F)(F)F)cn2)cn1.
What is the InChIKey of 5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide?
The InChIKey is ZBYIYEALQQBRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5/c11-10(12,13)6-3-17-18(5-6)7-1-2-8(9(14)15)16-4-7/h1-5H,(H3,14,15).
What are the key properties of 5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide?
5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide has a molecular weight of 255.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide is sourced from PubChem (CID 113321273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).