(7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine

C14H11F4N3 — CID 74764244

IUPAC(7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccc(/C=C2\CNCc3c2n[nH]c3C(F)(F)F)cc1
InChIInChI=1S/C14H11F4N3/c15-10-3-1-8(2-4-10)5-9-6-19-7-11-12(9)20-21-13(11)14(16,17)18/h1-5,19H,6-7H2,(H,20,21)/b9-5+
InChIKeyYDLDUUVAPQFYRA-WEVVVXLNSA-N
MW297.25 g/mol
LogP3.21
Rot. Bonds1

About (7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine

(7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 74764244) has the molecular formula C14H11F4N3 and a molecular weight of 297.25 g/mol. Its IUPAC name is (7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name(7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID74764244
Molecular FormulaC14H11F4N3
Molecular Weight297.25 g/mol
Exact Mass297.09
IUPAC Name(7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccc(/C=C2\CNCc3c2n[nH]c3C(F)(F)F)cc1
InChIInChI=1S/C14H11F4N3/c15-10-3-1-8(2-4-10)5-9-6-19-7-11-12(9)20-21-13(11)14(16,17)18/h1-5,19H,6-7H2,(H,20,21)/b9-5+
InChIKeyYDLDUUVAPQFYRA-WEVVVXLNSA-N
XLogP3.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one
CID 57368519
ethyl 7-benzylidene-3-(trifluoromethyl)-4,6-dihydro-2H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 57361077
(3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine
CID 66524773
(3Z)-3-[(4-fluorophenyl)methylidene]pyrrolidine
CID 122235633
2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739929
3-[(4-fluorophenyl)methylidene]piperidin-2-one
CID 57351446
5-fluoro-3-(trifluoromethyl)-2H-indazole
CID 83397909
2-(4-fluorophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737950
(3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine
CID 101038677
(2E,7E)-2,7-bis[(4-fluorophenyl)methylidene]cycloheptan-1-one
CID 6308455
2-[(4-fluorophenyl)methylidene]cyclohexan-1-one
CID 54228214
4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 21071142

Frequently Asked Questions

What is the IUPAC name of (7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of (7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine (CID 74764244) is (7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for (7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for (7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine is Fc1ccc(/C=C2\CNCc3c2n[nH]c3C(F)(F)F)cc1.
What is the InChIKey of (7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is YDLDUUVAPQFYRA-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H11F4N3/c15-10-3-1-8(2-4-10)5-9-6-19-7-11-12(9)20-21-13(11)14(16,17)18/h1-5,19H,6-7H2,(H,20,21)/b9-5+.
What are the key properties of (7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine?
(7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 297.25 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 74764244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).