methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate

C20H19N3O3 — CID 25358277

IUPACmethyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-26-19(24)13-16(14-8-4-2-5-9-14)21-20(25)18-12-17(22-23-18)15-10-6-3-7-11-15/h2-12,16H,13H2,1H3,(H,21,25)(H,22,23)/t16-/m0/s1
InChIKeyARCSIZBSBRJIIJ-INIZCTEOSA-N
MW349.39 g/mol
LogP3.11
Rot. Bonds6

About methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate

methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate (PubChem CID 25358277) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate
PubChem CID25358277
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namemethyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-26-19(24)13-16(14-8-4-2-5-9-14)21-20(25)18-12-17(22-23-18)15-10-6-3-7-11-15/h2-12,16H,13H2,1H3,(H,21,25)(H,22,23)/t16-/m0/s1
InChIKeyARCSIZBSBRJIIJ-INIZCTEOSA-N
XLogP3.11
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
methyl 3-[(5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 46549528
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205416
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate
CID 95271907
3-[4-(1,2-dihydroxy-4-methoxy-4-oxobutyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 171896606
3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide
CID 97129988
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
methyl 3-[(8-carbamoyl-2-phenylimidazo[1,5-a]pyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 24631890
methyl (3R)-3-phenyl-3-(1,2,5-thiadiazole-3-carbonylamino)propanoate
CID 94149809

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate (CID 25358277) is methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate is COC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1.
What is the InChIKey of methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate?
The InChIKey is ARCSIZBSBRJIIJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-19(24)13-16(14-8-4-2-5-9-14)21-20(25)18-12-17(22-23-18)15-10-6-3-7-11-15/h2-12,16H,13H2,1H3,(H,21,25)(H,22,23)/t16-/m0/s1.
What are the key properties of methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate?
methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate has a molecular weight of 349.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 25358277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).