5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile

C14H11F3N4 — CID 69172501

IUPAC5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cn1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)13-11-3-1-2-4-12(11)21(20-13)10-6-5-9(7-18)19-8-10/h5-6,8H,1-4H2
InChIKeyCHTBJIVUIGNZGN-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.04
Rot. Bonds1

About 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile

5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile (PubChem CID 69172501) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile
PubChem CID69172501
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cn1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)13-11-3-1-2-4-12(11)21(20-13)10-6-5-9(7-18)19-8-10/h5-6,8H,1-4H2
InChIKeyCHTBJIVUIGNZGN-UHFFFAOYSA-N
XLogP3.04
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile (CID 69172501) is 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cn1.
What is the InChIKey of 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile?
The InChIKey is CHTBJIVUIGNZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)13-11-3-1-2-4-12(11)21(20-13)10-6-5-9(7-18)19-8-10/h5-6,8H,1-4H2.
What are the key properties of 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile?
5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 69172501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).