2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid

C14H15FN2O3 — CID 107881276

IUPAC2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid
SMILESCCCn1cc(OCc2ccc(F)c(C(=O)O)c2)cn1
InChIInChI=1S/C14H15FN2O3/c1-2-5-17-8-11(7-16-17)20-9-10-3-4-13(15)12(6-10)14(18)19/h3-4,6-8H,2,5,9H2,1H3,(H,18,19)
InChIKeyXZXIWZAEJFFKIT-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.71
Rot. Bonds6

About 2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid

2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid (PubChem CID 107881276) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid
PubChem CID107881276
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid
SMILESCCCn1cc(OCc2ccc(F)c(C(=O)O)c2)cn1
InChIInChI=1S/C14H15FN2O3/c1-2-5-17-8-11(7-16-17)20-9-10-3-4-13(15)12(6-10)14(18)19/h3-4,6-8H,2,5,9H2,1H3,(H,18,19)
InChIKeyXZXIWZAEJFFKIT-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline
CID 116804981
3-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 116800034
5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid
CID 116799971
2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid
CID 107881304
2-chloro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116803992
5-[(1-ethylpyrazol-4-yl)oxymethyl]-2-fluorobenzonitrile
CID 114013035
2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 107675415
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941
2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid
CID 117234298
2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine
CID 105351322
3-methyl-2-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 107112612
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
CID 107881290

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid (CID 107881276) is 2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid is CCCn1cc(OCc2ccc(F)c(C(=O)O)c2)cn1.
What is the InChIKey of 2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid?
The InChIKey is XZXIWZAEJFFKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-2-5-17-8-11(7-16-17)20-9-10-3-4-13(15)12(6-10)14(18)19/h3-4,6-8H,2,5,9H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid?
2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid has a molecular weight of 278.28 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid is sourced from PubChem (CID 107881276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).