4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid

C15H14N4O3S — CID 90287686

IUPAC4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2nccs2)cc1-c1c(N)c(C(=O)O)nn1C
InChIInChI=1S/C15H14N4O3S/c1-19-13(11(16)12(18-19)15(20)21)9-7-8(3-4-10(9)22-2)14-17-5-6-23-14/h3-7H,16H2,1-2H3,(H,20,21)
InChIKeyLRJGHXOGCDYLNH-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.50
Rot. Bonds4

About 4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid

4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 90287686) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID90287686
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2nccs2)cc1-c1c(N)c(C(=O)O)nn1C
InChIInChI=1S/C15H14N4O3S/c1-19-13(11(16)12(18-19)15(20)21)9-7-8(3-4-10(9)22-2)14-17-5-6-23-14/h3-7H,16H2,1-2H3,(H,20,21)
InChIKeyLRJGHXOGCDYLNH-UHFFFAOYSA-N
XLogP2.50
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid (CID 90287686) is 4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid is COc1ccc(-c2nccs2)cc1-c1c(N)c(C(=O)O)nn1C.
What is the InChIKey of 4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is LRJGHXOGCDYLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-19-13(11(16)12(18-19)15(20)21)9-7-8(3-4-10(9)22-2)14-17-5-6-23-14/h3-7H,16H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid?
4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 330.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 90287686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).