3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide

C22H20F3N3O2 — CID 59492737

IUPAC3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C22H20F3N3O2/c1-27(2)19(29)10-11-28-13-14(12-26-28)15-7-5-9-18-20(15)16-6-3-4-8-17(16)21(18,30)22(23,24)25/h3-9,12-13,30H,10-11H2,1-2H3
InChIKeyXZTWYTSIEGOALE-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.81
Rot. Bonds4

About 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide

3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 59492737) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
PubChem CID59492737
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C22H20F3N3O2/c1-27(2)19(29)10-11-28-13-14(12-26-28)15-7-5-9-18-20(15)16-6-3-4-8-17(16)21(18,30)22(23,24)25/h3-9,12-13,30H,10-11H2,1-2H3
InChIKeyXZTWYTSIEGOALE-UHFFFAOYSA-N
XLogP3.81
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 59492627
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide
CID 59493073
N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide
CID 59492642
4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492700
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide
CID 59492901
5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one
CID 71164723
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-9-(trifluoromethyl)fluoren-9-ol
CID 46191615
2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492632
5-[4-[(9R)-2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2,2-dimethylpentanoic acid
CID 118516831
N-[3-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propyl]methanesulfonamide
CID 59492886
2-(2,2-dimethylpropyl)-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492934
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 162559121

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide (CID 59492737) is 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is XZTWYTSIEGOALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-27(2)19(29)10-11-28-13-14(12-26-28)15-7-5-9-18-20(15)16-6-3-4-8-17(16)21(18,30)22(23,24)25/h3-9,12-13,30H,10-11H2,1-2H3.
What are the key properties of 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 415.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 59492737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).