2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid

C24H19F2N3O2 — CID 71624967

IUPAC2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccncc2)nn1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H19F2N3O2/c1-15-21(14-22(30)31)23(16-10-12-27-13-11-16)28-29(15)24(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-13,24H,14H2,1H3,(H,30,31)
InChIKeyFBDDJSBZIRVFTM-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.80
Rot. Bonds6

About 2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid

2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid (PubChem CID 71624967) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
PubChem CID71624967
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccncc2)nn1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H19F2N3O2/c1-15-21(14-22(30)31)23(16-10-12-27-13-11-16)28-29(15)24(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-13,24H,14H2,1H3,(H,30,31)
InChIKeyFBDDJSBZIRVFTM-UHFFFAOYSA-N
XLogP4.80
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid (CID 71624967) is 2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid is Cc1c(CC(=O)O)c(-c2ccncc2)nn1C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
The InChIKey is FBDDJSBZIRVFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c1-15-21(14-22(30)31)23(16-10-12-27-13-11-16)28-29(15)24(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-13,24H,14H2,1H3,(H,30,31).
What are the key properties of 2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid has a molecular weight of 419.43 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 71624967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).