2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid

C16H19N3O3 — CID 119208682

IUPAC2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
SMILESCc1cccc(-n2ncc(C(=O)N(C)C(C)C(=O)O)c2C)c1
InChIInChI=1S/C16H19N3O3/c1-10-6-5-7-13(8-10)19-11(2)14(9-17-19)15(20)18(4)12(3)16(21)22/h5-9,12H,1-4H3,(H,21,22)
InChIKeyJUSSQHWYFVGODW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.03
Rot. Bonds4

About 2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid

2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid (PubChem CID 119208682) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
PubChem CID119208682
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
SMILESCc1cccc(-n2ncc(C(=O)N(C)C(C)C(=O)O)c2C)c1
InChIInChI=1S/C16H19N3O3/c1-10-6-5-7-13(8-10)19-11(2)14(9-17-19)15(20)18(4)12(3)16(21)22/h5-9,12H,1-4H3,(H,21,22)
InChIKeyJUSSQHWYFVGODW-UHFFFAOYSA-N
XLogP2.03
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119209354
(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354
N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 46549850
2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid
CID 119204742
2-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]-cyclopropylamino]propanoic acid
CID 119202302
1-(3-chlorophenyl)-N,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 134059030
2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 131961353
N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride
CID 120886647
5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 30837651
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741
2-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119359343
[phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 47079383

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid (CID 119208682) is 2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid is Cc1cccc(-n2ncc(C(=O)N(C)C(C)C(=O)O)c2C)c1.
What is the InChIKey of 2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid?
The InChIKey is JUSSQHWYFVGODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-6-5-7-13(8-10)19-11(2)14(9-17-19)15(20)18(4)12(3)16(21)22/h5-9,12H,1-4H3,(H,21,22).
What are the key properties of 2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid?
2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119208682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).