2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C17H15N3O4 — CID 90204861

IUPAC2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCOc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C17H15N3O4/c1-23-14-4-2-12(3-5-14)11-24-16-7-9-19-20(16)15-10-13(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeySVCKUILRFZXYLH-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.55
Rot. Bonds6

About 2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90204861) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90204861
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCOc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C17H15N3O4/c1-23-14-4-2-12(3-5-14)11-24-16-7-9-19-20(16)15-10-13(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeySVCKUILRFZXYLH-UHFFFAOYSA-N
XLogP2.55
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90204861) is 2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is COc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is SVCKUILRFZXYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-14-4-2-12(3-5-14)11-24-16-7-9-19-20(16)15-10-13(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90204861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).