3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid

C12H19N3O3 — CID 81368159

IUPAC3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCc1cc(C)n(CC(=O)NCC(C)(C)C(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-8-5-9(2)15(14-8)6-10(16)13-7-12(3,4)11(17)18/h5H,6-7H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyMWMBSFDLDKHABZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.73
Rot. Bonds5

About 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid

3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 81368159) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid
PubChem CID81368159
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCc1cc(C)n(CC(=O)NCC(C)(C)C(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-8-5-9(2)15(14-8)6-10(16)13-7-12(3,4)11(17)18/h5H,6-7H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyMWMBSFDLDKHABZ-UHFFFAOYSA-N
XLogP0.73
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66170031
N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 113462775
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261540
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-ethylbutanoic acid
CID 79807385
2-(3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43648249
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylbut-3-yn-2-yl)acetamide
CID 63999923
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid (CID 81368159) is 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid is Cc1cc(C)n(CC(=O)NCC(C)(C)C(=O)O)n1.
What is the InChIKey of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is MWMBSFDLDKHABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-5-9(2)15(14-8)6-10(16)13-7-12(3,4)11(17)18/h5H,6-7H2,1-4H3,(H,13,16)(H,17,18).
What are the key properties of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 81368159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).