2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid

C15H12N4O3 — CID 90205282

IUPAC2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCc2cccnc2)c1
InChIInChI=1S/C15H12N4O3/c20-15(21)12-3-6-17-13(8-12)19-14(4-7-18-19)22-10-11-2-1-5-16-9-11/h1-9H,10H2,(H,20,21)
InChIKeyPXCCUUDXLVUZQL-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.94
Rot. Bonds5

About 2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205282) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205282
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCc2cccnc2)c1
InChIInChI=1S/C15H12N4O3/c20-15(21)12-3-6-17-13(8-12)19-14(4-7-18-19)22-10-11-2-1-5-16-9-11/h1-9H,10H2,(H,20,21)
InChIKeyPXCCUUDXLVUZQL-UHFFFAOYSA-N
XLogP1.94
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205282) is 2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2OCc2cccnc2)c1.
What is the InChIKey of 2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is PXCCUUDXLVUZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-15(21)12-3-6-17-13(8-12)19-14(4-7-18-19)22-10-11-2-1-5-16-9-11/h1-9H,10H2,(H,20,21).
What are the key properties of 2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyridin-3-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).