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

C23H25N3O4 — CID 24516785

IUPACpropan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
SMILESCOc1ccc(C(CC(=O)OC(C)C)NC(=O)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C23H25N3O4/c1-16(2)30-22(27)15-21(17-7-11-20(29-3)12-8-17)25-23(28)18-5-9-19(10-6-18)26-14-4-13-24-26/h4-14,16,21H,15H2,1-3H3,(H,25,28)
InChIKeyGKJKWVGGNCWMDQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.69
Rot. Bonds8

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

propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate (PubChem CID 24516785) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
PubChem CID24516785
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Namepropan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
SMILESCOc1ccc(C(CC(=O)OC(C)C)NC(=O)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C23H25N3O4/c1-16(2)30-22(27)15-21(17-7-11-20(29-3)12-8-17)25-23(28)18-5-9-19(10-6-18)26-14-4-13-24-26/h4-14,16,21H,15H2,1-3H3,(H,25,28)
InChIKeyGKJKWVGGNCWMDQ-UHFFFAOYSA-N
XLogP3.69
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
propan-2-yl 3-phenyl-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoate
CID 51256987
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 110889458
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate
CID 56545987
methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate
CID 55532033
propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate
CID 42920387
propan-2-yl 3-[(4-methoxybenzoyl)amino]-3-(2-nitrophenyl)propanoate
CID 46637872
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
The IUPAC name of propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate (CID 24516785) is propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
The canonical SMILES for propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate is COc1ccc(C(CC(=O)OC(C)C)NC(=O)c2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
The InChIKey is GKJKWVGGNCWMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16(2)30-22(27)15-21(17-7-11-20(29-3)12-8-17)25-23(28)18-5-9-19(10-6-18)26-14-4-13-24-26/h4-14,16,21H,15H2,1-3H3,(H,25,28).
What are the key properties of propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate?
propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate has a molecular weight of 407.47 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate is sourced from PubChem (CID 24516785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).