2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid

C17H18BrN3O3 — CID 119233619

IUPAC2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESO=C(NCC(Cc1ccccc1)C(=O)O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C17H18BrN3O3/c18-13-14(11-6-7-11)20-21-15(13)16(22)19-9-12(17(23)24)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyWONXBXNCGOGLGM-UHFFFAOYSA-N
MW392.25 g/mol
LogP2.72
Rot. Bonds7

About 2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid

2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 119233619) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is 2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
PubChem CID119233619
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESO=C(NCC(Cc1ccccc1)C(=O)O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C17H18BrN3O3/c18-13-14(11-6-7-11)20-21-15(13)16(22)19-9-12(17(23)24)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyWONXBXNCGOGLGM-UHFFFAOYSA-N
XLogP2.72
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605
3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 119220931
2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid
CID 119233645
4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 47426517
2-benzyl-3-[[5-(oxolan-2-yl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 119233820
(2S)-2-benzyl-3-[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 125152186
2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 75495598
2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 120525163
3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228143
(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692134
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 119233951
2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid
CID 120525108

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid (CID 119233619) is 2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid is O=C(NCC(Cc1ccccc1)C(=O)O)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of 2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is WONXBXNCGOGLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c18-13-14(11-6-7-11)20-21-15(13)16(22)19-9-12(17(23)24)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 392.25 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119233619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).