4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid

C16H13N3O3 — CID 142526977

IUPAC4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
SMILESO=C(O)c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C16H13N3O3/c20-16(21)12-3-1-11(2-4-12)10-22-13-5-6-14(17-9-13)15-7-8-18-19-15/h1-9H,10H2,(H,18,19)(H,20,21)
InChIKeyLGJSFJPLMGXSLN-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.75
Rot. Bonds5

About 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid

4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid (PubChem CID 142526977) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid.

Molecular Properties

Compound Name4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
PubChem CID142526977
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
SMILESO=C(O)c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C16H13N3O3/c20-16(21)12-3-1-11(2-4-12)10-22-13-5-6-14(17-9-13)15-7-8-18-19-15/h1-9H,10H2,(H,18,19)(H,20,21)
InChIKeyLGJSFJPLMGXSLN-UHFFFAOYSA-N
XLogP2.75
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790764
2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526497
4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
CID 147289846
2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid
CID 142526512
1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid
CID 137487702
6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
CID 142527040
2-methyl-2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexa-1,3-dien-1-yl]propanoic acid
CID 148863071
2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid
CID 148717921
5-[(3-methylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 130360604
2,2-dimethyl-3-[5-methyl-7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropanoic acid
CID 154931184
2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid
CID 154931289
ethyl (E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoate
CID 142527004

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid?
The IUPAC name of 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid (CID 142526977) is 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid.
What is the SMILES notation for 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid?
The canonical SMILES for 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid is O=C(O)c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1.
What is the InChIKey of 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid?
The InChIKey is LGJSFJPLMGXSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16(21)12-3-1-11(2-4-12)10-22-13-5-6-14(17-9-13)15-7-8-18-19-15/h1-9H,10H2,(H,18,19)(H,20,21).
What are the key properties of 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid?
4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid has a molecular weight of 295.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid is sourced from PubChem (CID 142526977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).