2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide

C17H14N4O3 — CID 124527770

IUPAC2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide
SMILESNC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C17H14N4O3/c18-15-13(14(22)16(23)19-11-7-3-1-4-8-11)17(24)21(20-15)12-9-5-2-6-10-12/h1-10,13H,(H2,18,20)(H,19,23)/t13-/m1/s1
InChIKeyOMYKKPFHAQECTN-CYBMUJFWSA-N
MW322.32 g/mol
LogP1.13
Rot. Bonds4

About 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide

2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide (PubChem CID 124527770) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide
PubChem CID124527770
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide
SMILESNC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C17H14N4O3/c18-15-13(14(22)16(23)19-11-7-3-1-4-8-11)17(24)21(20-15)12-9-5-2-6-10-12/h1-10,13H,(H2,18,20)(H,19,23)/t13-/m1/s1
InChIKeyOMYKKPFHAQECTN-CYBMUJFWSA-N
XLogP1.13
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-ethylphenyl)-2-oxoacetamide
CID 124527773
2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide
CID 124578350
2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide
CID 124632154
2-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 124632165
N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide
CID 98131505
3-methyl-5-oxo-1-phenyl-N-pyridin-4-yl-4H-pyrazole-4-carboxamide
CID 139433268
N-[(Z)-[1-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-(3,4-dichloroanilino)-2-oxoethylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 5387989
N-[(4R)-4-chloro-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 98157977
4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one;hydrate
CID 19354458
N-benzyl-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 71939648
(4R)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577604
(4S)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577603

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide (CID 124527770) is 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide is NC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide?
The InChIKey is OMYKKPFHAQECTN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H14N4O3/c18-15-13(14(22)16(23)19-11-7-3-1-4-8-11)17(24)21(20-15)12-9-5-2-6-10-12/h1-10,13H,(H2,18,20)(H,19,23)/t13-/m1/s1.
What are the key properties of 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide?
2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide has a molecular weight of 322.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide is sourced from PubChem (CID 124527770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).