2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol

C22H19F3N8O — CID 155151719

IUPAC2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol
SMILESOCCn1cc(-c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)nn1
InChIInChI=1S/C22H19F3N8O/c23-22(24,25)21-13(9-26-31-21)19-12-4-2-1-3-11(12)17-14(27-19)5-6-15-18(17)20(30-28-15)16-10-33(7-8-34)32-29-16/h5-6,9-10,34H,1-4,7-8H2,(H,26,31)(H,28,30)
InChIKeyFOGWWIBOXNLEAZ-UHFFFAOYSA-N
MW468.44 g/mol
LogP3.65
Rot. Bonds4

About 2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol

2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol (PubChem CID 155151719) has the molecular formula C22H19F3N8O and a molecular weight of 468.44 g/mol. Its IUPAC name is 2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol
PubChem CID155151719
Molecular FormulaC22H19F3N8O
Molecular Weight468.44 g/mol
Exact Mass468.16
IUPAC Name2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol
SMILESOCCn1cc(-c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)nn1
InChIInChI=1S/C22H19F3N8O/c23-22(24,25)21-13(9-26-31-21)19-12-4-2-1-3-11(12)17-14(27-19)5-6-15-18(17)20(30-28-15)16-10-33(7-8-34)32-29-16/h5-6,9-10,34H,1-4,7-8H2,(H,26,31)(H,28,30)
InChIKeyFOGWWIBOXNLEAZ-UHFFFAOYSA-N
XLogP3.65
TPSA121.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol (CID 155151719) is 2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol is OCCn1cc(-c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)nn1.
What is the InChIKey of 2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol?
The InChIKey is FOGWWIBOXNLEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N8O/c23-22(24,25)21-13(9-26-31-21)19-12-4-2-1-3-11(12)17-14(27-19)5-6-15-18(17)20(30-28-15)16-10-33(7-8-34)32-29-16/h5-6,9-10,34H,1-4,7-8H2,(H,26,31)(H,28,30).
What are the key properties of 2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol?
2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol has a molecular weight of 468.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol is sourced from PubChem (CID 155151719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).