2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid

C14H15N3O4 — CID 66126888

IUPAC2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)c2ccc(O)cc2)n(C)n1
InChIInChI=1S/C14H15N3O4/c1-9-7-12(16(2)15-9)14(21)17(8-13(19)20)10-3-5-11(18)6-4-10/h3-7,18H,8H2,1-2H3,(H,19,20)
InChIKeyNADGEGNAIFFKTI-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.17
Rot. Bonds4

About 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid

2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid (PubChem CID 66126888) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid
PubChem CID66126888
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)c2ccc(O)cc2)n(C)n1
InChIInChI=1S/C14H15N3O4/c1-9-7-12(16(2)15-9)14(21)17(8-13(19)20)10-3-5-11(18)6-4-10/h3-7,18H,8H2,1-2H3,(H,19,20)
InChIKeyNADGEGNAIFFKTI-UHFFFAOYSA-N
XLogP1.17
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid?
The IUPAC name of 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid (CID 66126888) is 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid.
What is the SMILES notation for 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid?
The canonical SMILES for 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid is Cc1cc(C(=O)N(CC(=O)O)c2ccc(O)cc2)n(C)n1.
What is the InChIKey of 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid?
The InChIKey is NADGEGNAIFFKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9-7-12(16(2)15-9)14(21)17(8-13(19)20)10-3-5-11(18)6-4-10/h3-7,18H,8H2,1-2H3,(H,19,20).
What are the key properties of 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid?
2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid has a molecular weight of 289.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid is sourced from PubChem (CID 66126888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).