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

C21H18F3N3O2 — CID 59492902

IUPACN-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H18F3N3O2/c1-13(28)25-9-10-27-12-14(11-26-27)15-6-4-8-18-19(15)16-5-2-3-7-17(16)20(18,29)21(22,23)24/h2-8,11-12,29H,9-10H2,1H3,(H,25,28)
InChIKeyOLMRPRZQXXVFRH-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.46
Rot. Bonds4

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

N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide (PubChem CID 59492902) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide
PubChem CID59492902
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC NameN-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H18F3N3O2/c1-13(28)25-9-10-27-12-14(11-26-27)15-6-4-8-18-19(15)16-5-2-3-7-17(16)20(18,29)21(22,23)24/h2-8,11-12,29H,9-10H2,1H3,(H,25,28)
InChIKeyOLMRPRZQXXVFRH-UHFFFAOYSA-N
XLogP3.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide (CID 59492902) is N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide is CC(=O)NCCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide?
The InChIKey is OLMRPRZQXXVFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-13(28)25-9-10-27-12-14(11-26-27)15-6-4-8-18-19(15)16-5-2-3-7-17(16)20(18,29)21(22,23)24/h2-8,11-12,29H,9-10H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide?
N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide has a molecular weight of 401.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 59492902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).