N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide

C17H15N5O3 — CID 136919302

IUPACN-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1O
InChIInChI=1S/C17H15N5O3/c1-11(23)18-16-15(20-19-13-9-5-6-10-14(13)24)17(25)22(21-16)12-7-3-2-4-8-12/h2-10,15,24H,1H3,(H,18,21,23)/b20-19+/t15-/m0/s1
InChIKeyCNUMNJCGQABUAA-CVTQAYBASA-N
MW337.34 g/mol
LogP2.34
Rot. Bonds3

About N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide

N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide (PubChem CID 136919302) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
PubChem CID136919302
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1O
InChIInChI=1S/C17H15N5O3/c1-11(23)18-16-15(20-19-13-9-5-6-10-14(13)24)17(25)22(21-16)12-7-3-2-4-8-12/h2-10,15,24H,1H3,(H,18,21,23)/b20-19+/t15-/m0/s1
InChIKeyCNUMNJCGQABUAA-CVTQAYBASA-N
XLogP2.34
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide
CID 98215311
N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 3810371
N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 3850753
N-[(4R)-4-chloro-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 98157977
5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid
CID 88641283
[(4S)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl] thiocyanate
CID 27059032
5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide
CID 3020110
calcium 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoate
CID 3017757
(4R)-4-[(5-chloro-2-hydroxy-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 136737997
ethyl (4R)-4-[(2,5-dichlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
CID 98097961
4-[(2-hydroxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide
CID 3106495
CID 170840686
CID 170840686

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide (CID 136919302) is N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide is CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1O.
What is the InChIKey of N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
The InChIKey is CNUMNJCGQABUAA-CVTQAYBASA-N. The full InChI is InChI=1S/C17H15N5O3/c1-11(23)18-16-15(20-19-13-9-5-6-10-14(13)24)17(25)22(21-16)12-7-3-2-4-8-12/h2-10,15,24H,1H3,(H,18,21,23)/b20-19+/t15-/m0/s1.
What are the key properties of N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 136919302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).