5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine

C20H18F3N5O — CID 155152069

IUPAC5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
SMILESCCOc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3
InChIInChI=1S/C20H18F3N5O/c1-2-29-15-7-14-12(8-24-27-14)16-10-5-3-4-6-11(10)17(26-18(15)16)13-9-25-28-19(13)20(21,22)23/h7-9H,2-6H2,1H3,(H,24,27)(H,25,28)
InChIKeyNBFRTNMJPUSJPL-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.80
Rot. Bonds3

About 5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine

5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (PubChem CID 155152069) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine.

Molecular Properties

Compound Name5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
PubChem CID155152069
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
SMILESCCOc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3
InChIInChI=1S/C20H18F3N5O/c1-2-29-15-7-14-12(8-24-27-14)16-10-5-3-4-6-11(10)17(26-18(15)16)13-9-25-28-19(13)20(21,22)23/h7-9H,2-6H2,1H3,(H,24,27)(H,25,28)
InChIKeyNBFRTNMJPUSJPL-UHFFFAOYSA-N
XLogP4.80
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine 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 5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The IUPAC name of 5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (CID 155152069) is 5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine.
What is the SMILES notation for 5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The canonical SMILES for 5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine is CCOc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4C(F)(F)F)nc12)CCCC3.
What is the InChIKey of 5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The InChIKey is NBFRTNMJPUSJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c1-2-29-15-7-14-12(8-24-27-14)16-10-5-3-4-6-11(10)17(26-18(15)16)13-9-25-28-19(13)20(21,22)23/h7-9H,2-6H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine has a molecular weight of 401.39 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine is sourced from PubChem (CID 155152069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).