2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid

C18H23N3O3 — CID 120696541

IUPAC2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid
SMILESCc1ccc(C(C)(C)C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C18H23N3O3/c1-12-6-8-13(9-7-12)17(2,3)15(22)20-14-10-19-21(11-14)18(4,5)16(23)24/h6-11H,1-5H3,(H,20,22)(H,23,24)
InChIKeyZIOLJWHQJUPOBZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.93
Rot. Bonds5

About 2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid (PubChem CID 120696541) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid
PubChem CID120696541
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid
SMILESCc1ccc(C(C)(C)C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1
InChIInChI=1S/C18H23N3O3/c1-12-6-8-13(9-7-12)17(2,3)15(22)20-14-10-19-21(11-14)18(4,5)16(23)24/h6-11H,1-5H3,(H,20,22)(H,23,24)
InChIKeyZIOLJWHQJUPOBZ-UHFFFAOYSA-N
XLogP2.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-[4-[(2-methoxy-2-phenylpropanoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696536
N-(3,5-dimethylphenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198100
2-methyl-2-[4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697796
2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697609
2-[4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696454
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696220
N-[4-(dimethylamino)phenyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198132
2-methyl-2-[4-[[(2S)-2-phenylpropanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696756
N-(4-fluorophenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid (CID 120696541) is 2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid is Cc1ccc(C(C)(C)C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc1.
What is the InChIKey of 2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid?
The InChIKey is ZIOLJWHQJUPOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-6-8-13(9-7-12)17(2,3)15(22)20-14-10-19-21(11-14)18(4,5)16(23)24/h6-11H,1-5H3,(H,20,22)(H,23,24).
What are the key properties of 2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120696541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).