3-(pyrazol-1-ylmethoxy)benzoic acid

C11H10N2O3 — CID 19618612

IUPAC3-(pyrazol-1-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCn2cccn2)c1
InChIInChI=1S/C11H10N2O3/c14-11(15)9-3-1-4-10(7-9)16-8-13-6-2-5-12-13/h1-7H,8H2,(H,14,15)
InChIKeyKZGUYENNSJBRGE-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.62
Rot. Bonds4

About 3-(pyrazol-1-ylmethoxy)benzoic acid

3-(pyrazol-1-ylmethoxy)benzoic acid (PubChem CID 19618612) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(pyrazol-1-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-(pyrazol-1-ylmethoxy)benzoic acid
PubChem CID19618612
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(pyrazol-1-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCn2cccn2)c1
InChIInChI=1S/C11H10N2O3/c14-11(15)9-3-1-4-10(7-9)16-8-13-6-2-5-12-13/h1-7H,8H2,(H,14,15)
InChIKeyKZGUYENNSJBRGE-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrazol-1-ylmethoxy)benzamide
CID 59403018
3-[3-(pyrazol-1-ylmethyl)phenyl]benzoic acid
CID 142326100
1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone
CID 109411614
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
3-(2-pyrazol-1-ylethylsulfonyl)benzoic acid
CID 61494754
3-[3-[(E)-1-(4-pyrazol-1-ylphenyl)propylideneamino]oxypropoxy]benzoic acid
CID 87833461
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
3-[(2-ethylpiperidin-1-yl)methoxy]benzoic acid
CID 22685322
bromobenzene;3-ethoxybenzoic acid
CID 174626248
3-[2-(pyrimidin-2-ylamino)ethoxy]benzoic acid
CID 98039259
3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]benzoic acid
CID 136550505

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazol-1-ylmethoxy)benzoic acid?
The IUPAC name of 3-(pyrazol-1-ylmethoxy)benzoic acid (CID 19618612) is 3-(pyrazol-1-ylmethoxy)benzoic acid.
What is the SMILES notation for 3-(pyrazol-1-ylmethoxy)benzoic acid?
The canonical SMILES for 3-(pyrazol-1-ylmethoxy)benzoic acid is O=C(O)c1cccc(OCn2cccn2)c1.
What is the InChIKey of 3-(pyrazol-1-ylmethoxy)benzoic acid?
The InChIKey is KZGUYENNSJBRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-11(15)9-3-1-4-10(7-9)16-8-13-6-2-5-12-13/h1-7H,8H2,(H,14,15).
What are the key properties of 3-(pyrazol-1-ylmethoxy)benzoic acid?
3-(pyrazol-1-ylmethoxy)benzoic acid has a molecular weight of 218.21 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazol-1-ylmethoxy)benzoic acid is sourced from PubChem (CID 19618612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).