1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid

C16H14N4O3 — CID 23090235

IUPAC1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2cccc(C)n2)cn1
InChIInChI=1S/C16H14N4O3/c1-10-4-3-5-12(18-10)14-8-13(16(21)22)19-20(14)11-6-7-15(23-2)17-9-11/h3-9H,1-2H3,(H,21,22)
InChIKeyWITNUYWCWVEEHN-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.34
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid

1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid (PubChem CID 23090235) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
PubChem CID23090235
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2cccc(C)n2)cn1
InChIInChI=1S/C16H14N4O3/c1-10-4-3-5-12(18-10)14-8-13(16(21)22)19-20(14)11-6-7-15(23-2)17-9-11/h3-9H,1-2H3,(H,21,22)
InChIKeyWITNUYWCWVEEHN-UHFFFAOYSA-N
XLogP2.34
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid (CID 23090235) is 1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)cc2-c2cccc(C)n2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The InChIKey is WITNUYWCWVEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-4-3-5-12(18-10)14-8-13(16(21)22)19-20(14)11-6-7-15(23-2)17-9-11/h3-9H,1-2H3,(H,21,22).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 23090235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).