2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid

C15H17FN2O3 — CID 107014090

IUPAC2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid
SMILESCCc1cc(COc2cccc(F)c2C(=O)O)n(CC)n1
InChIInChI=1S/C15H17FN2O3/c1-3-10-8-11(18(4-2)17-10)9-21-13-7-5-6-12(16)14(13)15(19)20/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyUHEYCXBDULNDJR-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.88
Rot. Bonds6

About 2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid

2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid (PubChem CID 107014090) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid
PubChem CID107014090
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid
SMILESCCc1cc(COc2cccc(F)c2C(=O)O)n(CC)n1
InChIInChI=1S/C15H17FN2O3/c1-3-10-8-11(18(4-2)17-10)9-21-13-7-5-6-12(16)14(13)15(19)20/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyUHEYCXBDULNDJR-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid
CID 107341422
[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698448
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700343
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107713078
2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
CID 107014119
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid
CID 82826423
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid
CID 107013857
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid?
The IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid (CID 107014090) is 2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid is CCc1cc(COc2cccc(F)c2C(=O)O)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid?
The InChIKey is UHEYCXBDULNDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-3-10-8-11(18(4-2)17-10)9-21-13-7-5-6-12(16)14(13)15(19)20/h5-8H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid?
2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid has a molecular weight of 292.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid is sourced from PubChem (CID 107014090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).