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

C17H15N3O4 — CID 142526497

IUPAC2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
SMILESCOc1cc(COc2ccc(-c3ccn[nH]3)nc2)ccc1C(=O)O
InChIInChI=1S/C17H15N3O4/c1-23-16-8-11(2-4-13(16)17(21)22)10-24-12-3-5-14(18-9-12)15-6-7-19-20-15/h2-9H,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyLCBHRZACPBZXKG-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.76
Rot. Bonds6

About 2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid

2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid (PubChem CID 142526497) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
PubChem CID142526497
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
SMILESCOc1cc(COc2ccc(-c3ccn[nH]3)nc2)ccc1C(=O)O
InChIInChI=1S/C17H15N3O4/c1-23-16-8-11(2-4-13(16)17(21)22)10-24-12-3-5-14(18-9-12)15-6-7-19-20-15/h2-9H,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyLCBHRZACPBZXKG-UHFFFAOYSA-N
XLogP2.76
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526977
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
5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790764
2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid
CID 148717921
2-methoxy-4-[(4-methylsulfanylphenoxy)methyl]benzoic acid
CID 106794086
N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide
CID 152802846
2-methyl-2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexa-1,3-dien-1-yl]propanoic acid
CID 148863071
4-ethyl-2-methoxybenzoic acid
CID 18687349
4-(1H-imidazol-2-ylmethyl)-2-methoxybenzoic acid
CID 70490835
2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid
CID 106794181
4-[(2-bromo-4-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 106794003

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid?
The IUPAC name of 2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid (CID 142526497) is 2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid?
The canonical SMILES for 2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid is COc1cc(COc2ccc(-c3ccn[nH]3)nc2)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid?
The InChIKey is LCBHRZACPBZXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-16-8-11(2-4-13(16)17(21)22)10-24-12-3-5-14(18-9-12)15-6-7-19-20-15/h2-9H,10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid?
2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid has a molecular weight of 325.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid is sourced from PubChem (CID 142526497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).