2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide

C20H16F3N3O2 — CID 59492521

IUPAC2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C20H16F3N3O2/c1-24-17(27)11-26-10-12(9-25-26)13-6-4-8-16-18(13)14-5-2-3-7-15(14)19(16,28)20(21,22)23/h2-10,28H,11H2,1H3,(H,24,27)
InChIKeyNAXPDMPEHJBDJZ-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.07
Rot. Bonds3

About 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide

2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide (PubChem CID 59492521) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide
PubChem CID59492521
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C20H16F3N3O2/c1-24-17(27)11-26-10-12(9-25-26)13-6-4-8-16-18(13)14-5-2-3-7-15(14)19(16,28)20(21,22)23/h2-10,28H,11H2,1H3,(H,24,27)
InChIKeyNAXPDMPEHJBDJZ-UHFFFAOYSA-N
XLogP3.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide (CID 59492521) is 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is NAXPDMPEHJBDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-24-17(27)11-26-10-12(9-25-26)13-6-4-8-16-18(13)14-5-2-3-7-15(14)19(16,28)20(21,22)23/h2-10,28H,11H2,1H3,(H,24,27).
What are the key properties of 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide?
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 387.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 59492521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).