2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide

C20H16F3N3O2 — CID 46191680

IUPAC2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESCCn1cc(-c2cc(C(N)=O)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1
InChIInChI=1S/C20H16F3N3O2/c1-2-26-10-12(9-25-26)11-7-14(18(24)27)17-13-5-3-4-6-15(13)19(28,16(17)8-11)20(21,22)23/h3-10,28H,2H2,1H3,(H2,24,27)
InChIKeyLMOZOXYYIHMKOX-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.45
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide

2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide (PubChem CID 46191680) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
PubChem CID46191680
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESCCn1cc(-c2cc(C(N)=O)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1
InChIInChI=1S/C20H16F3N3O2/c1-2-26-10-12(9-25-26)11-7-14(18(24)27)17-13-5-3-4-6-15(13)19(28,16(17)8-11)20(21,22)23/h3-10,28H,2H2,1H3,(H2,24,27)
InChIKeyLMOZOXYYIHMKOX-UHFFFAOYSA-N
XLogP3.45
TPSA81.14 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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide (CID 46191680) is 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide is CCn1cc(-c2cc(C(N)=O)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The InChIKey is LMOZOXYYIHMKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-2-26-10-12(9-25-26)11-7-14(18(24)27)17-13-5-3-4-6-15(13)19(28,16(17)8-11)20(21,22)23/h3-10,28H,2H2,1H3,(H2,24,27).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide is sourced from PubChem (CID 46191680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).