propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate

C22H23N3O3 — CID 46637677

IUPACpropan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
SMILESCC(C)OC(=O)CC(NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-16(2)28-21(26)15-20(17-7-4-3-5-8-17)24-22(27)18-9-11-19(12-10-18)25-14-6-13-23-25/h3-14,16,20H,15H2,1-2H3,(H,24,27)
InChIKeyGARGQZRTXWNEGQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.69
Rot. Bonds7

About propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate

propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate (PubChem CID 46637677) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
PubChem CID46637677
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namepropan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
SMILESCC(C)OC(=O)CC(NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-16(2)28-21(26)15-20(17-7-4-3-5-8-17)24-22(27)18-9-11-19(12-10-18)25-14-6-13-23-25/h3-14,16,20H,15H2,1-2H3,(H,24,27)
InChIKeyGARGQZRTXWNEGQ-UHFFFAOYSA-N
XLogP3.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate 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

propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 24516785
propan-2-yl 3-phenyl-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoate
CID 51256987
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144
propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate
CID 112803711
propan-2-yl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate
CID 55464119
propan-2-yl 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-3-phenylpropanoate
CID 46686826
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112
propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate
CID 56545987
N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214921

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
The IUPAC name of propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate (CID 46637677) is propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
The canonical SMILES for propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate is CC(C)OC(=O)CC(NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1.
What is the InChIKey of propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
The InChIKey is GARGQZRTXWNEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16(2)28-21(26)15-20(17-7-4-3-5-8-17)24-22(27)18-9-11-19(12-10-18)25-14-6-13-23-25/h3-14,16,20H,15H2,1-2H3,(H,24,27).
What are the key properties of propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate has a molecular weight of 377.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate is sourced from PubChem (CID 46637677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).