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

C15H15N5O3 — CID 53353083

IUPAC5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESCCCc1noc(-c2ccc(-n3ncc(C(=O)O)c3C)nc2)n1
InChIInChI=1S/C15H15N5O3/c1-3-4-12-18-14(23-19-12)10-5-6-13(16-7-10)20-9(2)11(8-17-20)15(21)22/h5-8H,3-4H2,1-2H3,(H,21,22)
InChIKeyXUZZGGIQENCCHP-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.28
Rot. Bonds5

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

5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid (PubChem CID 53353083) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID53353083
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESCCCc1noc(-c2ccc(-n3ncc(C(=O)O)c3C)nc2)n1
InChIInChI=1S/C15H15N5O3/c1-3-4-12-18-14(23-19-12)10-5-6-13(16-7-10)20-9(2)11(8-17-20)15(21)22/h5-8H,3-4H2,1-2H3,(H,21,22)
InChIKeyXUZZGGIQENCCHP-UHFFFAOYSA-N
XLogP2.28
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.28
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-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid (CID 53353083) is 5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid is CCCc1noc(-c2ccc(-n3ncc(C(=O)O)c3C)nc2)n1.
What is the InChIKey of 5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The InChIKey is XUZZGGIQENCCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-3-4-12-18-14(23-19-12)10-5-6-13(16-7-10)20-9(2)11(8-17-20)15(21)22/h5-8H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid?
5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid has a molecular weight of 313.32 g/mol, XLogP of 2.28, 5 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-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 53353083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).