2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid

C17H13FN2O2 — CID 12887030

IUPAC2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1nn(-c2ccccc2F)cc1-c1ccccc1
InChIInChI=1S/C17H13FN2O2/c18-14-8-4-5-9-16(14)20-11-13(12-6-2-1-3-7-12)15(19-20)10-17(21)22/h1-9,11H,10H2,(H,21,22)
InChIKeyCOTPSEFOMUXLAK-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.31
Rot. Bonds4

About 2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid

2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid (PubChem CID 12887030) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid
PubChem CID12887030
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1nn(-c2ccccc2F)cc1-c1ccccc1
InChIInChI=1S/C17H13FN2O2/c18-14-8-4-5-9-16(14)20-11-13(12-6-2-1-3-7-12)15(19-20)10-17(21)22/h1-9,11H,10H2,(H,21,22)
InChIKeyCOTPSEFOMUXLAK-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid (CID 12887030) is 2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid is O=C(O)Cc1nn(-c2ccccc2F)cc1-c1ccccc1.
What is the InChIKey of 2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid?
The InChIKey is COTPSEFOMUXLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-14-8-4-5-9-16(14)20-11-13(12-6-2-1-3-7-12)15(19-20)10-17(21)22/h1-9,11H,10H2,(H,21,22).
What are the key properties of 2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid?
2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid has a molecular weight of 296.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid is sourced from PubChem (CID 12887030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).