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

C23H22F3N3O3 — CID 59492619

IUPACN-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H22F3N3O3/c1-14(30)28(2)8-9-32-16-10-18(15-12-27-29(3)13-15)21-17-6-4-5-7-19(17)22(31,20(21)11-16)23(24,25)26/h4-7,10-13,31H,8-9H2,1-3H3
InChIKeyFCYJVQRKCJAVNH-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.72
Rot. Bonds5

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

N-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide (PubChem CID 59492619) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is N-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
PubChem CID59492619
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC NameN-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H22F3N3O3/c1-14(30)28(2)8-9-32-16-10-18(15-12-27-29(3)13-15)21-17-6-4-5-7-19(17)22(31,20(21)11-16)23(24,25)26/h4-7,10-13,31H,8-9H2,1-3H3
InChIKeyFCYJVQRKCJAVNH-UHFFFAOYSA-N
XLogP3.72
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide?
The IUPAC name of N-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide (CID 59492619) is N-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide is CC(=O)N(C)CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of N-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide?
The InChIKey is FCYJVQRKCJAVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-14(30)28(2)8-9-32-16-10-18(15-12-27-29(3)13-15)21-17-6-4-5-7-19(17)22(31,20(21)11-16)23(24,25)26/h4-7,10-13,31H,8-9H2,1-3H3.
What are the key properties of N-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide?
N-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide has a molecular weight of 445.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide is sourced from PubChem (CID 59492619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).