2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide

C22H24N4O3 — CID 124632154

IUPAC2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide
SMILESCc1cccc(C(C)(C)C)c1NC(=O)C(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1N
InChIInChI=1S/C22H24N4O3/c1-13-9-8-12-15(22(2,3)4)17(13)24-20(28)18(27)16-19(23)25-26(21(16)29)14-10-6-5-7-11-14/h5-12,16H,1-4H3,(H2,23,25)(H,24,28)/t16-/m0/s1
InChIKeyOXBIXTIUJWOSOJ-INIZCTEOSA-N
MW392.46 g/mol
LogP2.74
Rot. Bonds4

About 2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide

2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide (PubChem CID 124632154) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide
PubChem CID124632154
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide
SMILESCc1cccc(C(C)(C)C)c1NC(=O)C(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1N
InChIInChI=1S/C22H24N4O3/c1-13-9-8-12-15(22(2,3)4)17(13)24-20(28)18(27)16-19(23)25-26(21(16)29)14-10-6-5-7-11-14/h5-12,16H,1-4H3,(H2,23,25)(H,24,28)/t16-/m0/s1
InChIKeyOXBIXTIUJWOSOJ-INIZCTEOSA-N
XLogP2.74
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.74
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-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide
CID 124527770
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-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 124632165
4-(2,2-dimethylpropanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 15787923
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
ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate
CID 22755148
(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
N-[(4R)-4-chloro-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 98157977
1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea
CID 67522114
N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 23909766

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide (CID 124632154) is 2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide is Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1N.
What is the InChIKey of 2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide?
The InChIKey is OXBIXTIUJWOSOJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-9-8-12-15(22(2,3)4)17(13)24-20(28)18(27)16-19(23)25-26(21(16)29)14-10-6-5-7-11-14/h5-12,16H,1-4H3,(H2,23,25)(H,24,28)/t16-/m0/s1.
What are the key properties of 2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide?
2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide has a molecular weight of 392.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 124632154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).