2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C17H21N3O4 — CID 120697609

IUPAC2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1ccc(C)cc1CC(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C17H21N3O4/c1-11-5-6-14(24-4)12(7-11)8-15(21)19-13-9-18-20(10-13)17(2,3)16(22)23/h5-7,9-10H,8H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyKSLCYOLWTAIBHV-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.20
Rot. Bonds6

About 2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120697609) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120697609
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1ccc(C)cc1CC(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C17H21N3O4/c1-11-5-6-14(24-4)12(7-11)8-15(21)19-13-9-18-20(10-13)17(2,3)16(22)23/h5-7,9-10H,8H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyKSLCYOLWTAIBHV-UHFFFAOYSA-N
XLogP2.20
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-(2-bromo-5-methoxyphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696897
2-[4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696665
2-[4-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697343
2-[4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696454
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-[4-[[2-(2-methoxyethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696437
2-[4-[3-(4-methoxyphenyl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696934
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670700
2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696950
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-[4-[(2-methoxy-2-phenylpropanoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696536

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120697609) is 2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is COc1ccc(C)cc1CC(=O)Nc1cnn(C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is KSLCYOLWTAIBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-5-6-14(24-4)12(7-11)8-15(21)19-13-9-18-20(10-13)17(2,3)16(22)23/h5-7,9-10H,8H2,1-4H3,(H,19,21)(H,22,23).
What are the key properties of 2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 331.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120697609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).