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

C20H18F3N5O — CID 142445225

IUPAC2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol
SMILESOCCn1ncc2c3c4c(c(-c5cn[nH]c5C(F)(F)F)nc3ccc21)CCCC4
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)19-14(9-24-27-19)18-12-4-2-1-3-11(12)17-13-10-25-28(7-8-29)16(13)6-5-15(17)26-18/h5-6,9-10,29H,1-4,7-8H2,(H,24,27)
InChIKeyHVHTVRREJAOKIH-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.86
Rot. Bonds3

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

2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol (PubChem CID 142445225) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol.

Molecular Properties

Compound Name2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol
PubChem CID142445225
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol
SMILESOCCn1ncc2c3c4c(c(-c5cn[nH]c5C(F)(F)F)nc3ccc21)CCCC4
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)19-14(9-24-27-19)18-12-4-2-1-3-11(12)17-13-10-25-28(7-8-29)16(13)6-5-15(17)26-18/h5-6,9-10,29H,1-4,7-8H2,(H,24,27)
InChIKeyHVHTVRREJAOKIH-UHFFFAOYSA-N
XLogP3.86
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol?
The IUPAC name of 2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol (CID 142445225) is 2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol.
What is the SMILES notation for 2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol?
The canonical SMILES for 2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol is OCCn1ncc2c3c4c(c(-c5cn[nH]c5C(F)(F)F)nc3ccc21)CCCC4.
What is the InChIKey of 2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol?
The InChIKey is HVHTVRREJAOKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c21-20(22,23)19-14(9-24-27-19)18-12-4-2-1-3-11(12)17-13-10-25-28(7-8-29)16(13)6-5-15(17)26-18/h5-6,9-10,29H,1-4,7-8H2,(H,24,27).
What are the key properties of 2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol?
2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol has a molecular weight of 401.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-3-yl]ethanol is sourced from PubChem (CID 142445225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).