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

C23H17F2N3O2 — CID 71624969

IUPAC2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C23H17F2N3O2/c24-19-5-1-16(2-6-19)23(17-3-7-20(25)8-4-17)28-14-18(13-21(29)30)22(27-28)15-9-11-26-12-10-15/h1-12,14,23H,13H2,(H,29,30)
InChIKeyZIVCNQCTWXONIK-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.49
Rot. Bonds6

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

2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid (PubChem CID 71624969) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is 2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid
PubChem CID71624969
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C23H17F2N3O2/c24-19-5-1-16(2-6-19)23(17-3-7-20(25)8-4-17)28-14-18(13-21(29)30)22(27-28)15-9-11-26-12-10-15/h1-12,14,23H,13H2,(H,29,30)
InChIKeyZIVCNQCTWXONIK-UHFFFAOYSA-N
XLogP4.49
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.49
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]-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid (CID 71624969) is 2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid is O=C(O)Cc1cn(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccncc1.
What is the InChIKey of 2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
The InChIKey is ZIVCNQCTWXONIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c24-19-5-1-16(2-6-19)23(17-3-7-20(25)8-4-17)28-14-18(13-21(29)30)22(27-28)15-9-11-26-12-10-15/h1-12,14,23H,13H2,(H,29,30).
What are the key properties of 2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
2-[1-[bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid has a molecular weight of 405.40 g/mol, XLogP of 4.49, 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]-3-pyridin-4-ylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 71624969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).