1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid

C13H15N3O2 — CID 86692420

IUPAC1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid
SMILESCCc1ccc(-n2ncc(C(=O)O)c2C)nc1C
InChIInChI=1S/C13H15N3O2/c1-4-10-5-6-12(15-8(10)2)16-9(3)11(7-14-16)13(17)18/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyFHMHOIHFCXRNQR-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.14
Rot. Bonds3

About 1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid

1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid (PubChem CID 86692420) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid
PubChem CID86692420
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid
SMILESCCc1ccc(-n2ncc(C(=O)O)c2C)nc1C
InChIInChI=1S/C13H15N3O2/c1-4-10-5-6-12(15-8(10)2)16-9(3)11(7-14-16)13(17)18/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyFHMHOIHFCXRNQR-UHFFFAOYSA-N
XLogP2.14
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid (CID 86692420) is 1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid is CCc1ccc(-n2ncc(C(=O)O)c2C)nc1C.
What is the InChIKey of 1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid?
The InChIKey is FHMHOIHFCXRNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-4-10-5-6-12(15-8(10)2)16-9(3)11(7-14-16)13(17)18/h5-7H,4H2,1-3H3,(H,17,18).
What are the key properties of 1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid?
1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 86692420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).