4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid

C22H19F3N2O4 — CID 59492595

IUPAC4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid
SMILESCOc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C22H19F3N2O4/c1-31-14-9-16(13-11-26-27(12-13)8-4-7-19(28)29)20-15-5-2-3-6-17(15)21(30,18(20)10-14)22(23,24)25/h2-3,5-6,9-12,30H,4,7-8H2,1H3,(H,28,29)
InChIKeyGBCGIDPENFRXEC-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.20
Rot. Bonds6

About 4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid

4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid (PubChem CID 59492595) has the molecular formula C22H19F3N2O4 and a molecular weight of 432.40 g/mol. Its IUPAC name is 4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid
PubChem CID59492595
Molecular FormulaC22H19F3N2O4
Molecular Weight432.40 g/mol
Exact Mass432.13
IUPAC Name4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid
SMILESCOc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C22H19F3N2O4/c1-31-14-9-16(13-11-26-27(12-13)8-4-7-19(28)29)20-15-5-2-3-6-17(15)21(30,18(20)10-14)22(23,24)25/h2-3,5-6,9-12,30H,4,7-8H2,1H3,(H,28,29)
InChIKeyGBCGIDPENFRXEC-UHFFFAOYSA-N
XLogP4.20
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid?
The IUPAC name of 4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid (CID 59492595) is 4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid is COc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid?
The InChIKey is GBCGIDPENFRXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4/c1-31-14-9-16(13-11-26-27(12-13)8-4-7-19(28)29)20-15-5-2-3-6-17(15)21(30,18(20)10-14)22(23,24)25/h2-3,5-6,9-12,30H,4,7-8H2,1H3,(H,28,29).
What are the key properties of 4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid?
4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid has a molecular weight of 432.40 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[9-hydroxy-2-methoxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 59492595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).