2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid

C15H17N3O3 — CID 119172398

IUPAC2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)CC(=O)O)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-10-8-11(2)18(16-10)13-6-4-12(5-7-13)15(21)17(3)9-14(19)20/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyIKMTUUOZYWJEDL-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.65
Rot. Bonds4

About 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid

2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid (PubChem CID 119172398) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid
PubChem CID119172398
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)CC(=O)O)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-10-8-11(2)18(16-10)13-6-4-12(5-7-13)15(21)17(3)9-14(19)20/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyIKMTUUOZYWJEDL-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
N-[(2S)-2,3-dihydroxypropyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 95121318
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26071977
N-[2-(dimethylamino)-2-oxoethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 87025428
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
CID 70717359
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26826334
2-amino-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 83823762
N-(cyclopropylmethyl)-4-(3,5-dimethylpyrazol-1-yl)-N-propylbenzamide
CID 78785879
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 55588344
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 26292074
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid (CID 119172398) is 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid is Cc1cc(C)n(-c2ccc(C(=O)N(C)CC(=O)O)cc2)n1.
What is the InChIKey of 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid?
The InChIKey is IKMTUUOZYWJEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-8-11(2)18(16-10)13-6-4-12(5-7-13)15(21)17(3)9-14(19)20/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid?
2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid is sourced from PubChem (CID 119172398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).