N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide

C22H32N6O3 — CID 136641332

IUPACN'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NC2CC(C)CC(C)(C)C2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1
InChIInChI=1S/C22H32N6O3/c1-12(2)16-9-18(29)26-21(24-16)28-17(8-14(4)27-28)25-20(31)19(30)23-15-7-13(3)10-22(5,6)11-15/h8-9,12-13,15H,7,10-11H2,1-6H3,(H,23,30)(H,25,31)(H,24,26,29)
InChIKeyUZKWTPABLBBSSS-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.66
Rot. Bonds4

About N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide

N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide (PubChem CID 136641332) has the molecular formula C22H32N6O3 and a molecular weight of 428.54 g/mol. Its IUPAC name is N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide.

Molecular Properties

Compound NameN'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide
PubChem CID136641332
Molecular FormulaC22H32N6O3
Molecular Weight428.54 g/mol
Exact Mass428.25
IUPAC NameN'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NC2CC(C)CC(C)(C)C2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1
InChIInChI=1S/C22H32N6O3/c1-12(2)16-9-18(29)26-21(24-16)28-17(8-14(4)27-28)25-20(31)19(30)23-15-7-13(3)10-22(5,6)11-15/h8-9,12-13,15H,7,10-11H2,1-6H3,(H,23,30)(H,25,31)(H,24,26,29)
InChIKeyUZKWTPABLBBSSS-UHFFFAOYSA-N
XLogP2.66
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide with MolForge

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Launch Full Analysis

Related Compounds

N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]oxamide
CID 136902200
N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxamide
CID 136902201
N'-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide
CID 136641312
N-cyclopentyl-N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide
CID 135954167
N-cyclohexyl-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954203
N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide
CID 136641277
2-chloro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
CID 136636473
2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779728
N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
CID 135954051
N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
CID 135954086
N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide
CID 136641293
2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 16868630

Frequently Asked Questions

What is the IUPAC name of N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide?
The IUPAC name of N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide (CID 136641332) is N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide.
What is the SMILES notation for N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide?
The canonical SMILES for N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide is Cc1cc(NC(=O)C(=O)NC2CC(C)CC(C)(C)C2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.
What is the InChIKey of N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide?
The InChIKey is UZKWTPABLBBSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O3/c1-12(2)16-9-18(29)26-21(24-16)28-17(8-14(4)27-28)25-20(31)19(30)23-15-7-13(3)10-22(5,6)11-15/h8-9,12-13,15H,7,10-11H2,1-6H3,(H,23,30)(H,25,31)(H,24,26,29).
What are the key properties of N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide?
N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide has a molecular weight of 428.54 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(3,3,5-trimethylcyclohexyl)oxamide is sourced from PubChem (CID 136641332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).