N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide

C10H17N3O2 — CID 69006694

IUPACN-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NC(C)(C)C)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7-5-9(15)13(12-7)6-8(14)11-10(2,3)4/h5,12H,6H2,1-4H3,(H,11,14)
InChIKeySIKULKSTPSQGPE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.40
Rot. Bonds2

About N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide

N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide (PubChem CID 69006694) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
PubChem CID69006694
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NC(C)(C)C)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7-5-9(15)13(12-7)6-8(14)11-10(2,3)4/h5,12H,6H2,1-4H3,(H,11,14)
InChIKeySIKULKSTPSQGPE-UHFFFAOYSA-N
XLogP0.40
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
CID 21501955
2-(2-Tert-butyl-5-methyl-3-oxopyrazol-1-yl)acetamide
CID 69916523
N-ethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466350
N-(2-methylpropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513805
N-tert-butyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513845
acetamide;2-tert-butyl-5-methyl-1H-pyrazol-3-one
CID 158475996
N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide
CID 5017552
N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 45121471
2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-3-one
CID 66020274
1-(2-aminoethyl)-3-methyl-1H-pyrazol-5-ol
CID 82651247
2-ethyl-5-(methylaminomethyl)-1H-pyrazol-3-one
CID 83872800
5-(methylaminomethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one
CID 83876292

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide (CID 69006694) is N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide is Cc1cc(=O)n(CC(=O)NC(C)(C)C)[nH]1.
What is the InChIKey of N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide?
The InChIKey is SIKULKSTPSQGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-5-9(15)13(12-7)6-8(14)11-10(2,3)4/h5,12H,6H2,1-4H3,(H,11,14).
What are the key properties of N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide?
N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide has a molecular weight of 211.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide is sourced from PubChem (CID 69006694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).