3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid

C13H21N3O3 — CID 64670513

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
SMILESCc1cc(C)n(CCC(=O)NC(C)(C)CC(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-9-7-10(2)16(15-9)6-5-11(17)14-13(3,4)8-12(18)19/h7H,5-6,8H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyFBFSCZYDFDVSBJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.26
Rot. Bonds6

About 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid

3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid (PubChem CID 64670513) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
PubChem CID64670513
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
SMILESCc1cc(C)n(CCC(=O)NC(C)(C)CC(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-9-7-10(2)16(15-9)6-5-11(17)14-13(3,4)8-12(18)19/h7H,5-6,8H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyFBFSCZYDFDVSBJ-UHFFFAOYSA-N
XLogP1.26
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic 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

4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001106
N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 122560266
2-(3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43648249
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
2-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113356416
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
3-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43416849
tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 80999522
2-[2-(3,5-dimethylpyrazol-1-yl)ethylselanyl]acetic acid
CID 53360296
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethoxy)propanamide
CID 79675653
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
CID 43171953

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid (CID 64670513) is 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid is Cc1cc(C)n(CCC(=O)NC(C)(C)CC(=O)O)n1.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid?
The InChIKey is FBFSCZYDFDVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-7-10(2)16(15-9)6-5-11(17)14-13(3,4)8-12(18)19/h7H,5-6,8H2,1-4H3,(H,14,17)(H,18,19).
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid?
3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 64670513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).