4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide

C17H24N4O3 — CID 118538085

IUPAC4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C2(NO)C(=O)N(C)N=C2C(C)(C)C)cc1
InChIInChI=1S/C17H24N4O3/c1-16(2,3)14-17(19-24,15(23)21(6)18-14)12-9-7-11(8-10-12)13(22)20(4)5/h7-10,19,24H,1-6H3
InChIKeyNAJGJYFLLCTTLV-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.44
Rot. Bonds3

About 4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide

4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide (PubChem CID 118538085) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide
PubChem CID118538085
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C2(NO)C(=O)N(C)N=C2C(C)(C)C)cc1
InChIInChI=1S/C17H24N4O3/c1-16(2,3)14-17(19-24,15(23)21(6)18-14)12-9-7-11(8-10-12)13(22)20(4)5/h7-10,19,24H,1-6H3
InChIKeyNAJGJYFLLCTTLV-UHFFFAOYSA-N
XLogP1.44
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 84601218
4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 78764207
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
tert-butyl 4-(dimethylcarbamoyl)benzoate
CID 138647687
N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
CID 103883730
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921583
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 65192374
4-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 138055855
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747

Frequently Asked Questions

What is the IUPAC name of 4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide (CID 118538085) is 4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(C2(NO)C(=O)N(C)N=C2C(C)(C)C)cc1.
What is the InChIKey of 4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide?
The InChIKey is NAJGJYFLLCTTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-16(2,3)14-17(19-24,15(23)21(6)18-14)12-9-7-11(8-10-12)13(22)20(4)5/h7-10,19,24H,1-6H3.
What are the key properties of 4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide?
4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide has a molecular weight of 332.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-tert-butyl-4-(hydroxyamino)-1-methyl-5-oxopyrazol-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 118538085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).