2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid

C13H15N3O3 — CID 54890874

IUPAC2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C13H15N3O3/c1-16-8-9(7-14-16)12(13(17)18)15-10-5-3-4-6-11(10)19-2/h3-8,12,15H,1-2H3,(H,17,18)
InChIKeyWPUMUELCTSETOZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.67
Rot. Bonds5

About 2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid

2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 54890874) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID54890874
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C13H15N3O3/c1-16-8-9(7-14-16)12(13(17)18)15-10-5-3-4-6-11(10)19-2/h3-8,12,15H,1-2H3,(H,17,18)
InChIKeyWPUMUELCTSETOZ-UHFFFAOYSA-N
XLogP1.67
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyanilino)-2-(1-propylpyrazol-4-yl)acetamide
CID 103572073
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
CID 66164809
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
2-[(2-iodophenyl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289052
ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 61001750
2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
CID 60994711
2-(4-carbamoyl-2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288458
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid (CID 54890874) is 2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid is COc1ccccc1NC(C(=O)O)c1cnn(C)c1.
What is the InChIKey of 2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is WPUMUELCTSETOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16-8-9(7-14-16)12(13(17)18)15-10-5-3-4-6-11(10)19-2/h3-8,12,15H,1-2H3,(H,17,18).
What are the key properties of 2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid?
2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 261.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 54890874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).