2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid

C14H15N3O3 — CID 103116530

IUPAC2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2ccn(C)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-10-3-5-11(6-4-10)17(9-13(18)19)14(20)12-7-8-16(2)15-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyYPSYNXRSTFPMOX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.46
Rot. Bonds4

About 2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid

2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid (PubChem CID 103116530) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
PubChem CID103116530
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2ccn(C)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-10-3-5-11(6-4-10)17(9-13(18)19)14(20)12-7-8-16(2)15-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyYPSYNXRSTFPMOX-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid (CID 103116530) is 2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)c2ccn(C)n2)cc1.
What is the InChIKey of 2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid?
The InChIKey is YPSYNXRSTFPMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-3-5-11(6-4-10)17(9-13(18)19)14(20)12-7-8-16(2)15-12/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid?
2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid is sourced from PubChem (CID 103116530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).