5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid

C13H11N5O3 — CID 53353084

IUPAC5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESCc1noc(-c2ccc(-n3ncc(C(=O)O)c3C)nc2)n1
InChIInChI=1S/C13H11N5O3/c1-7-10(13(19)20)6-15-18(7)11-4-3-9(5-14-11)12-16-8(2)17-21-12/h3-6H,1-2H3,(H,19,20)
InChIKeyILSMXLPSLIYOOJ-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.63
Rot. Bonds3

About 5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid

5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid (PubChem CID 53353084) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID53353084
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESCc1noc(-c2ccc(-n3ncc(C(=O)O)c3C)nc2)n1
InChIInChI=1S/C13H11N5O3/c1-7-10(13(19)20)6-15-18(7)11-4-3-9(5-14-11)12-16-8(2)17-21-12/h3-6H,1-2H3,(H,19,20)
InChIKeyILSMXLPSLIYOOJ-UHFFFAOYSA-N
XLogP1.63
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid (CID 53353084) is 5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid is Cc1noc(-c2ccc(-n3ncc(C(=O)O)c3C)nc2)n1.
What is the InChIKey of 5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The InChIKey is ILSMXLPSLIYOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-7-10(13(19)20)6-15-18(7)11-4-3-9(5-14-11)12-16-8(2)17-21-12/h3-6H,1-2H3,(H,19,20).
What are the key properties of 5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid?
5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 53353084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).