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

C19H14F3N3O2 — CID 59492647

IUPAC9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1
InChIInChI=1S/C19H14F3N3O2/c1-25-9-11(8-24-25)10-6-13(17(23)26)16-12-4-2-3-5-14(12)18(27,15(16)7-10)19(20,21)22/h2-9,27H,1H3,(H2,23,26)
InChIKeyAFPYUOYYEJVSQQ-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.96
Rot. Bonds2

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

9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide (PubChem CID 59492647) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide.

Molecular Properties

Compound Name9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide
PubChem CID59492647
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1
InChIInChI=1S/C19H14F3N3O2/c1-25-9-11(8-24-25)10-6-13(17(23)26)16-12-4-2-3-5-14(12)18(27,15(16)7-10)19(20,21)22/h2-9,27H,1H3,(H2,23,26)
InChIKeyAFPYUOYYEJVSQQ-UHFFFAOYSA-N
XLogP2.96
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide?
The IUPAC name of 9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide (CID 59492647) is 9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide.
What is the SMILES notation for 9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide?
The canonical SMILES for 9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide is Cn1cc(-c2cc(C(N)=O)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1.
What is the InChIKey of 9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide?
The InChIKey is AFPYUOYYEJVSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-25-9-11(8-24-25)10-6-13(17(23)26)16-12-4-2-3-5-14(12)18(27,15(16)7-10)19(20,21)22/h2-9,27H,1H3,(H2,23,26).
What are the key properties of 9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide?
9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-4-carboxamide is sourced from PubChem (CID 59492647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).