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

C18H14F3N5O — CID 164621548

IUPAC7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol
SMILESOC1CCc2c(c(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)C1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)17-12(7-23-26-17)16-10-5-8(27)1-2-9(10)15-11-6-22-25-13(11)3-4-14(15)24-16/h3-4,6-8,27H,1-2,5H2,(H,22,25)(H,23,26)
InChIKeyUUPHPKKIPSWLBT-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.37
Rot. Bonds1

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

7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol (PubChem CID 164621548) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is 7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol.

Molecular Properties

Compound Name7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol
PubChem CID164621548
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol
SMILESOC1CCc2c(c(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)C1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)17-12(7-23-26-17)16-10-5-8(27)1-2-9(10)15-11-6-22-25-13(11)3-4-14(15)24-16/h3-4,6-8,27H,1-2,5H2,(H,22,25)(H,23,26)
InChIKeyUUPHPKKIPSWLBT-UHFFFAOYSA-N
XLogP3.37
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol?
The IUPAC name of 7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol (CID 164621548) is 7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol.
What is the SMILES notation for 7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol?
The canonical SMILES for 7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol is OC1CCc2c(c(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)C1.
What is the InChIKey of 7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol?
The InChIKey is UUPHPKKIPSWLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c19-18(20,21)17-12(7-23-26-17)16-10-5-8(27)1-2-9(10)15-11-6-22-25-13(11)3-4-14(15)24-16/h3-4,6-8,27H,1-2,5H2,(H,22,25)(H,23,26).
What are the key properties of 7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol?
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol has a molecular weight of 373.34 g/mol, XLogP of 3.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-ol is sourced from PubChem (CID 164621548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).