3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid

C19H16F4N2O2 — CID 66889178

IUPAC3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid
SMILESCC(Cc1nn(Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc12)C(=O)O
InChIInChI=1S/C19H16F4N2O2/c1-11(18(26)27)8-16-15-9-13(19(21,22)23)4-7-17(15)25(24-16)10-12-2-5-14(20)6-3-12/h2-7,9,11H,8,10H2,1H3,(H,26,27)
InChIKeyMPHVLQLIZGQPSY-UHFFFAOYSA-N
MW380.34 g/mol
LogP4.51
Rot. Bonds5

About 3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid

3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid (PubChem CID 66889178) has the molecular formula C19H16F4N2O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid
PubChem CID66889178
Molecular FormulaC19H16F4N2O2
Molecular Weight380.34 g/mol
Exact Mass380.11
IUPAC Name3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid
SMILESCC(Cc1nn(Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc12)C(=O)O
InChIInChI=1S/C19H16F4N2O2/c1-11(18(26)27)8-16-15-9-13(19(21,22)23)4-7-17(15)25(24-16)10-12-2-5-14(20)6-3-12/h2-7,9,11H,8,10H2,1H3,(H,26,27)
InChIKeyMPHVLQLIZGQPSY-UHFFFAOYSA-N
XLogP4.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid (CID 66889178) is 3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid is CC(Cc1nn(Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc12)C(=O)O.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid?
The InChIKey is MPHVLQLIZGQPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O2/c1-11(18(26)27)8-16-15-9-13(19(21,22)23)4-7-17(15)25(24-16)10-12-2-5-14(20)6-3-12/h2-7,9,11H,8,10H2,1H3,(H,26,27).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid?
3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid has a molecular weight of 380.34 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indazol-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 66889178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).