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

C10H17N3O2 — CID 121368072

IUPACN-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCc1[nH]n(C)c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C10H17N3O2/c1-6(2)9(14)11-5-8-7(3)12-13(4)10(8)15/h6,12H,5H2,1-4H3,(H,11,14)
InChIKeyUJEDHCYDQMIXHD-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.29
Rot. Bonds3

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

N-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide (PubChem CID 121368072) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
PubChem CID121368072
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCc1[nH]n(C)c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C10H17N3O2/c1-6(2)9(14)11-5-8-7(3)12-13(4)10(8)15/h6,12H,5H2,1-4H3,(H,11,14)
InChIKeyUJEDHCYDQMIXHD-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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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide (CID 121368072) is N-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide is Cc1[nH]n(C)c(=O)c1CNC(=O)C(C)C.
What is the InChIKey of N-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
The InChIKey is UJEDHCYDQMIXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(2)9(14)11-5-8-7(3)12-13(4)10(8)15/h6,12H,5H2,1-4H3,(H,11,14).
What are the key properties of N-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
N-[(2,5-dimethyl-3-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-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 121368072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).