5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid

C23H21F3N2O3 — CID 59492778

IUPAC5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid
SMILESCc1cc(-c2cnn(CCCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H21F3N2O3/c1-14-10-17(15-12-27-28(13-15)9-5-4-8-20(29)30)21-16-6-2-3-7-18(16)22(31,19(21)11-14)23(24,25)26/h2-3,6-7,10-13,31H,4-5,8-9H2,1H3,(H,29,30)
InChIKeyOXPLUFAEHAJNRG-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.89
Rot. Bonds6

About 5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid

5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid (PubChem CID 59492778) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is 5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid
PubChem CID59492778
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC Name5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid
SMILESCc1cc(-c2cnn(CCCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H21F3N2O3/c1-14-10-17(15-12-27-28(13-15)9-5-4-8-20(29)30)21-16-6-2-3-7-18(16)22(31,19(21)11-14)23(24,25)26/h2-3,6-7,10-13,31H,4-5,8-9H2,1H3,(H,29,30)
InChIKeyOXPLUFAEHAJNRG-UHFFFAOYSA-N
XLogP4.89
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid?
The IUPAC name of 5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid (CID 59492778) is 5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid.
What is the SMILES notation for 5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid?
The canonical SMILES for 5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid is Cc1cc(-c2cnn(CCCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid?
The InChIKey is OXPLUFAEHAJNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-14-10-17(15-12-27-28(13-15)9-5-4-8-20(29)30)21-16-6-2-3-7-18(16)22(31,19(21)11-14)23(24,25)26/h2-3,6-7,10-13,31H,4-5,8-9H2,1H3,(H,29,30).
What are the key properties of 5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid?
5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid has a molecular weight of 430.43 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentanoic acid is sourced from PubChem (CID 59492778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).