2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid

C15H17N3O3 — CID 119358577

IUPAC2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccccc1Cn1cccn1
InChIInChI=1S/C15H17N3O3/c1-11(15(20)21)17(2)14(19)13-7-4-3-6-12(13)10-18-9-5-8-16-18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyZATIJUPACYNQHE-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.48
Rot. Bonds5

About 2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid

2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid (PubChem CID 119358577) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid
PubChem CID119358577
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccccc1Cn1cccn1
InChIInChI=1S/C15H17N3O3/c1-11(15(20)21)17(2)14(19)13-7-4-3-6-12(13)10-18-9-5-8-16-18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyZATIJUPACYNQHE-UHFFFAOYSA-N
XLogP1.48
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propanoic acid
CID 119359245
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104547839
2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 46684646
2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
3-[[[2-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]benzoic acid
CID 75445007
1,1,2-trimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111850456
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 60852301
methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate
CID 66173912
(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid (CID 119358577) is 2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1ccccc1Cn1cccn1.
What is the InChIKey of 2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid?
The InChIKey is ZATIJUPACYNQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11(15(20)21)17(2)14(19)13-7-4-3-6-12(13)10-18-9-5-8-16-18/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid?
2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119358577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).