N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide

C10H17N3O2 — CID 121368071

IUPACN-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCc1c(CNC(=O)C(C)C)c(=O)[nH]n1C
InChIInChI=1S/C10H17N3O2/c1-6(2)9(14)11-5-8-7(3)13(4)12-10(8)15/h6H,5H2,1-4H3,(H,11,14)(H,12,15)
InChIKeyCSHMLQWWBGTBLJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.29
Rot. Bonds3

About N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide

N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide (PubChem CID 121368071) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
PubChem CID121368071
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCc1c(CNC(=O)C(C)C)c(=O)[nH]n1C
InChIInChI=1S/C10H17N3O2/c1-6(2)9(14)11-5-8-7(3)13(4)12-10(8)15/h6H,5H2,1-4H3,(H,11,14)(H,12,15)
InChIKeyCSHMLQWWBGTBLJ-UHFFFAOYSA-N
XLogP0.29
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
CID 121371043
2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide
CID 129034363
2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide
CID 129034358
ethane;N-[(3-ethyl-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]acetamide
CID 144778771
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
N-[(2,7-dimethyl-5-oxo-3H-imidazo[1,2-a]pyridin-6-yl)methyl]-2-methylpropanamide
CID 153188431
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
(2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide
CID 131008225
2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide
CID 130891535
2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 139307179

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide (CID 121368071) is N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide is Cc1c(CNC(=O)C(C)C)c(=O)[nH]n1C.
What is the InChIKey of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
The InChIKey is CSHMLQWWBGTBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(2)9(14)11-5-8-7(3)13(4)12-10(8)15/h6H,5H2,1-4H3,(H,11,14)(H,12,15).
What are the key properties of N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide has a molecular weight of 211.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 121368071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).