propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole

C19H20F3N3 — CID 157032809

IUPACpropan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole
SMILESCC(C)C1CC1.FC(F)(F)c1ccc(-n2ncc3ccccc32)nc1
InChIInChI=1S/C13H8F3N3.C6H12/c14-13(15,16)10-5-6-12(17-8-10)19-11-4-2-1-3-9(11)7-18-19;1-5(2)6-3-4-6/h1-8H;5-6H,3-4H2,1-2H3
InChIKeyDUQWOXZEDWGSSW-UHFFFAOYSA-N
MW347.38 g/mol
LogP5.49
Rot. Bonds2

About propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole

propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole (PubChem CID 157032809) has the molecular formula C19H20F3N3 and a molecular weight of 347.38 g/mol. Its IUPAC name is propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole.

Molecular Properties

Compound Namepropan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole
PubChem CID157032809
Molecular FormulaC19H20F3N3
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Namepropan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole
SMILESCC(C)C1CC1.FC(F)(F)c1ccc(-n2ncc3ccccc32)nc1
InChIInChI=1S/C13H8F3N3.C6H12/c14-13(15,16)10-5-6-12(17-8-10)19-11-4-2-1-3-9(11)7-18-19;1-5(2)6-3-4-6/h1-8H;5-6H,3-4H2,1-2H3
InChIKeyDUQWOXZEDWGSSW-UHFFFAOYSA-N
XLogP5.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.38
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole?
The IUPAC name of propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole (CID 157032809) is propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole.
What is the SMILES notation for propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole?
The canonical SMILES for propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole is CC(C)C1CC1.FC(F)(F)c1ccc(-n2ncc3ccccc32)nc1.
What is the InChIKey of propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole?
The InChIKey is DUQWOXZEDWGSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3.C6H12/c14-13(15,16)10-5-6-12(17-8-10)19-11-4-2-1-3-9(11)7-18-19;1-5(2)6-3-4-6/h1-8H;5-6H,3-4H2,1-2H3.
What are the key properties of propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole?
propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole has a molecular weight of 347.38 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole is sourced from PubChem (CID 157032809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).