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

C18H14N4O3 — CID 90205742

IUPAC2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C#N)c1
InChIInChI=1S/C18H14N4O3/c1-12-2-3-14(15(8-12)10-19)11-25-17-5-7-21-22(17)16-9-13(18(23)24)4-6-20-16/h2-9H,11H2,1H3,(H,23,24)
InChIKeyVFQWDEDHEXEJLC-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.72
Rot. Bonds5

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

2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205742) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205742
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C#N)c1
InChIInChI=1S/C18H14N4O3/c1-12-2-3-14(15(8-12)10-19)11-25-17-5-7-21-22(17)16-9-13(18(23)24)4-6-20-16/h2-9H,11H2,1H3,(H,23,24)
InChIKeyVFQWDEDHEXEJLC-UHFFFAOYSA-N
XLogP2.72
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205742) is 2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C#N)c1.
What is the InChIKey of 2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is VFQWDEDHEXEJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-12-2-3-14(15(8-12)10-19)11-25-17-5-7-21-22(17)16-9-13(18(23)24)4-6-20-16/h2-9H,11H2,1H3,(H,23,24).
What are the key properties of 2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 334.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).