2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid

C13H13FN2O3 — CID 155928476

IUPAC2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(OCc2ccccc2F)cn1
InChIInChI=1S/C13H13FN2O3/c1-9(13(17)18)16-7-11(6-15-16)19-8-10-4-2-3-5-12(10)14/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyPEKAGXZWKPVQKA-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.25
Rot. Bonds5

About 2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid

2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid (PubChem CID 155928476) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid
PubChem CID155928476
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(OCc2ccccc2F)cn1
InChIInChI=1S/C13H13FN2O3/c1-9(13(17)18)16-7-11(6-15-16)19-8-10-4-2-3-5-12(10)14/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyPEKAGXZWKPVQKA-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 102547350
5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63852379
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide
CID 171132579
5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141305036
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
(2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034160
2-bromo-5-[(2-fluorophenyl)methoxy]pyridine
CID 59596668
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 99124267
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19502955
(2R)-2-[4-(3-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034163

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid (CID 155928476) is 2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(OCc2ccccc2F)cn1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid?
The InChIKey is PEKAGXZWKPVQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-9(13(17)18)16-7-11(6-15-16)19-8-10-4-2-3-5-12(10)14/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid?
2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid has a molecular weight of 264.26 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methoxy]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 155928476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).