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

C15H17N3O3 — CID 66126674

IUPAC2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2cc(C)nn2C)cc1
InChIInChI=1S/C15H17N3O3/c1-10-4-6-12(7-5-10)18(9-14(19)20)15(21)13-8-11(2)16-17(13)3/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyXBYBKZVSZWXNMJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.77
Rot. Bonds4

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

2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid (PubChem CID 66126674) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid
PubChem CID66126674
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2cc(C)nn2C)cc1
InChIInChI=1S/C15H17N3O3/c1-10-4-6-12(7-5-10)18(9-14(19)20)15(21)13-8-11(2)16-17(13)3/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyXBYBKZVSZWXNMJ-UHFFFAOYSA-N
XLogP1.77
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid (CID 66126674) is 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)c2cc(C)nn2C)cc1.
What is the InChIKey of 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid?
The InChIKey is XBYBKZVSZWXNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-6-12(7-5-10)18(9-14(19)20)15(21)13-8-11(2)16-17(13)3/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid?
2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid is sourced from PubChem (CID 66126674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).