tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate

C23H34N6O6 — CID 12073838

IUPACtert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate
SMILESCc1cc(NC(=O)C(C)(C)C(=O)Nc2cc(C)n(C(=O)OC(C)(C)C)n2)nn1C(=O)OC(C)(C)C
InChIInChI=1S/C23H34N6O6/c1-13-11-15(26-28(13)19(32)34-21(3,4)5)24-17(30)23(9,10)18(31)25-16-12-14(2)29(27-16)20(33)35-22(6,7)8/h11-12H,1-10H3,(H,24,26,30)(H,25,27,31)
InChIKeyVOOLMUZMUALPIZ-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.87
Rot. Bonds4

About tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate

tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate (PubChem CID 12073838) has the molecular formula C23H34N6O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate
PubChem CID12073838
Molecular FormulaC23H34N6O6
Molecular Weight490.56 g/mol
Exact Mass490.25
IUPAC Nametert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate
SMILESCc1cc(NC(=O)C(C)(C)C(=O)Nc2cc(C)n(C(=O)OC(C)(C)C)n2)nn1C(=O)OC(C)(C)C
InChIInChI=1S/C23H34N6O6/c1-13-11-15(26-28(13)19(32)34-21(3,4)5)24-17(30)23(9,10)18(31)25-16-12-14(2)29(27-16)20(33)35-22(6,7)8/h11-12H,1-10H3,(H,24,26,30)(H,25,27,31)
InChIKeyVOOLMUZMUALPIZ-UHFFFAOYSA-N
XLogP3.87
TPSA146.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate with MolForge

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Related Compounds

Tert-butyl 5-methyl-3-[[2-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-oxoacetyl]amino]pyrazole-1-carboxylate
CID 11339843
Tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate
CID 12073837
Propanediamide, 2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)-
CID 12073843
Tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropanoyl)-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-5-methylpyrazole-1-carboxylate
CID 69689148
2,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-[(5-methyl-1H-pyrazol-3-yl)amino]but-3-enamide;ethane
CID 142827546
Tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropanoyl)amino]-5-methylpyrazole-1-carboxylate
CID 153727783
N-[1-(2,2-dimethylbutanoyl)-5-methylpyrazol-3-yl]-2,2-dimethylbutanamide;N-[2-(2,2-dimethylbutanoyl)-5-methylpyrazol-3-yl]-2,2-dimethylbutanamide
CID 157302038
2,2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-3-[(5-methyl-1H-pyrazol-3-yl)amino]but-3-enamide
CID 142827547

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate (CID 12073838) is tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate is Cc1cc(NC(=O)C(C)(C)C(=O)Nc2cc(C)n(C(=O)OC(C)(C)C)n2)nn1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate?
The InChIKey is VOOLMUZMUALPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O6/c1-13-11-15(26-28(13)19(32)34-21(3,4)5)24-17(30)23(9,10)18(31)25-16-12-14(2)29(27-16)20(33)35-22(6,7)8/h11-12H,1-10H3,(H,24,26,30)(H,25,27,31).
What are the key properties of tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate?
tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2,2-dimethyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-3-oxopropanoyl]amino]-5-methylpyrazole-1-carboxylate is sourced from PubChem (CID 12073838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).