5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid

C15H13N3O3 — CID 62848447

IUPAC5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
SMILESCc1ccnc(-n2nc(C(=O)O)cc2-c2ccc(C)o2)c1
InChIInChI=1S/C15H13N3O3/c1-9-5-6-16-14(7-9)18-12(8-11(17-18)15(19)20)13-4-3-10(2)21-13/h3-8H,1-2H3,(H,19,20)
InChIKeyCNXLMNFYYMOPIH-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.84
Rot. Bonds3

About 5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid

5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid (PubChem CID 62848447) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
PubChem CID62848447
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
SMILESCc1ccnc(-n2nc(C(=O)O)cc2-c2ccc(C)o2)c1
InChIInChI=1S/C15H13N3O3/c1-9-5-6-16-14(7-9)18-12(8-11(17-18)15(19)20)13-4-3-10(2)21-13/h3-8H,1-2H3,(H,19,20)
InChIKeyCNXLMNFYYMOPIH-UHFFFAOYSA-N
XLogP2.84
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid (CID 62848447) is 5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid is Cc1ccnc(-n2nc(C(=O)O)cc2-c2ccc(C)o2)c1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The InChIKey is CNXLMNFYYMOPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-5-6-16-14(7-9)18-12(8-11(17-18)15(19)20)13-4-3-10(2)21-13/h3-8H,1-2H3,(H,19,20).
What are the key properties of 5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 62848447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).