[(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate

C24H27N3O3 — CID 8009548

IUPAC[(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
SMILESCC[C@@H](C)n1nccc1NC(=O)[C@@H](C)OC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H27N3O3/c1-4-17(2)27-22(14-15-25-27)26-24(29)18(3)30-23(28)16-19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-15,17-18H,4,16H2,1-3H3,(H,26,29)/t17-,18-/m1/s1
InChIKeyFQZXVWZNNLLJAS-QZTJIDSGSA-N
MW405.50 g/mol
LogP4.63
Rot. Bonds8

About [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate

[(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate (PubChem CID 8009548) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
PubChem CID8009548
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
SMILESCC[C@@H](C)n1nccc1NC(=O)[C@@H](C)OC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H27N3O3/c1-4-17(2)27-22(14-15-25-27)26-24(29)18(3)30-23(28)16-19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-15,17-18H,4,16H2,1-3H3,(H,26,29)/t17-,18-/m1/s1
InChIKeyFQZXVWZNNLLJAS-QZTJIDSGSA-N
XLogP4.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate with MolForge

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Related Compounds

[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612742
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8527055
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 42930727
[(2S)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785236
[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 8760921
[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 124823488
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550718
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 9364426
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 8009715
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837023

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate (CID 8009548) is [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate is CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)OC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate?
The InChIKey is FQZXVWZNNLLJAS-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-17(2)27-22(14-15-25-27)26-24(29)18(3)30-23(28)16-19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-15,17-18H,4,16H2,1-3H3,(H,26,29)/t17-,18-/m1/s1.
What are the key properties of [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate?
[(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate has a molecular weight of 405.50 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 8009548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).