2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid

C25H27N5O6 — CID 174687726

IUPAC2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid
SMILESO=C(O)C(O)CNN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cc(C(=O)N2CCOCC2)[nH]n1
InChIInChI=1S/C25H27N5O6/c31-22(25(34)35)15-26-30(16-17-6-8-19(9-7-17)18-4-2-1-3-5-18)24(33)21-14-20(27-28-21)23(32)29-10-12-36-13-11-29/h1-9,14,22,26,31H,10-13,15-16H2,(H,27,28)(H,34,35)
InChIKeyOQWKGZGQKCUAIM-UHFFFAOYSA-N
MW493.52 g/mol
LogP1.14
Rot. Bonds9

About 2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid

2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid (PubChem CID 174687726) has the molecular formula C25H27N5O6 and a molecular weight of 493.52 g/mol. Its IUPAC name is 2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid
PubChem CID174687726
Molecular FormulaC25H27N5O6
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC Name2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid
SMILESO=C(O)C(O)CNN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cc(C(=O)N2CCOCC2)[nH]n1
InChIInChI=1S/C25H27N5O6/c31-22(25(34)35)15-26-30(16-17-6-8-19(9-7-17)18-4-2-1-3-5-18)24(33)21-14-20(27-28-21)23(32)29-10-12-36-13-11-29/h1-9,14,22,26,31H,10-13,15-16H2,(H,27,28)(H,34,35)
InChIKeyOQWKGZGQKCUAIM-UHFFFAOYSA-N
XLogP1.14
TPSA148.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid with MolForge

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Related Compounds

2-hydroxy-3-[2-[(4-phenylphenyl)methyl]-2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]propanoic acid
CID 174687565
3-[[[(2S)-2-carboxy-2-hydroxyethyl]-[(4-phenylphenyl)methyl]amino]carbamoyl]-1H-pyrazole-5-carboxylic acid
CID 57378315
3-[[4-(3-chlorophenyl)phenyl]methyl-[[5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrazole-3-carbonyl]amino]amino]-2-hydroxypropanoic acid
CID 67972337
(2R)-2-hydroxy-3-[(4-phenylphenyl)methyl-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]amino]propanoic acid
CID 67973699
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 38549380
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 71828704
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534
3-(4-morpholin-4-ylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid
CID 70653909

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid?
The IUPAC name of 2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid (CID 174687726) is 2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid is O=C(O)C(O)CNN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cc(C(=O)N2CCOCC2)[nH]n1.
What is the InChIKey of 2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid?
The InChIKey is OQWKGZGQKCUAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O6/c31-22(25(34)35)15-26-30(16-17-6-8-19(9-7-17)18-4-2-1-3-5-18)24(33)21-14-20(27-28-21)23(32)29-10-12-36-13-11-29/h1-9,14,22,26,31H,10-13,15-16H2,(H,27,28)(H,34,35).
What are the key properties of 2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid?
2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid has a molecular weight of 493.52 g/mol, XLogP of 1.14, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-[5-(morpholine-4-carbonyl)-1H-pyrazole-3-carbonyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]propanoic acid is sourced from PubChem (CID 174687726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).