2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid

C17H20BrN3O3 — CID 119205381

IUPAC2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C17H20BrN3O3/c1-4-9-20(10-15(22)23)17(24)13-5-7-14(8-6-13)21-12(3)16(18)11(2)19-21/h5-8H,4,9-10H2,1-3H3,(H,22,23)
InChIKeyBRPMHPSYUZXYMR-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.19
Rot. Bonds6

About 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid

2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid (PubChem CID 119205381) has the molecular formula C17H20BrN3O3 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid
PubChem CID119205381
Molecular FormulaC17H20BrN3O3
Molecular Weight394.27 g/mol
Exact Mass393.07
IUPAC Name2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C17H20BrN3O3/c1-4-9-20(10-15(22)23)17(24)13-5-7-14(8-6-13)21-12(3)16(18)11(2)19-21/h5-8H,4,9-10H2,1-3H3,(H,22,23)
InChIKeyBRPMHPSYUZXYMR-UHFFFAOYSA-N
XLogP3.19
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic 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

3-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]propanoic acid
CID 119233026
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
CID 61011522
ethyl N-[2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 56558959
2-[(3-bromo-5-methylbenzoyl)-propylamino]acetic acid
CID 104850711
2-[propyl-[4-(trifluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 61012642
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55606385
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(propanoylamino)phenyl]benzamide
CID 55787983
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-3-butylurea
CID 35281038
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 115491057
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 55692811

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid (CID 119205381) is 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1.
What is the InChIKey of 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid?
The InChIKey is BRPMHPSYUZXYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3/c1-4-9-20(10-15(22)23)17(24)13-5-7-14(8-6-13)21-12(3)16(18)11(2)19-21/h5-8H,4,9-10H2,1-3H3,(H,22,23).
What are the key properties of 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid?
2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid has a molecular weight of 394.27 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid is sourced from PubChem (CID 119205381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).