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

C17H12N4O3 — CID 86725568

IUPAC2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESN#Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C17H12N4O3/c18-10-12-1-3-13(4-2-12)11-24-16-6-8-20-21(16)15-9-14(17(22)23)5-7-19-15/h1-9H,11H2,(H,22,23)
InChIKeyWVXRMWSXRNMWLL-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.42
Rot. Bonds5

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

2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 86725568) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID86725568
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESN#Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C17H12N4O3/c18-10-12-1-3-13(4-2-12)11-24-16-6-8-20-21(16)15-9-14(17(22)23)5-7-19-15/h1-9H,11H2,(H,22,23)
InChIKeyWVXRMWSXRNMWLL-UHFFFAOYSA-N
XLogP2.42
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 86725568) is 2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is N#Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is WVXRMWSXRNMWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c18-10-12-1-3-13(4-2-12)11-24-16-6-8-20-21(16)15-9-14(17(22)23)5-7-19-15/h1-9H,11H2,(H,22,23).
What are the key properties of 2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 320.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86725568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).