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

C11H19N3O2 — CID 121368087

IUPACN-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCCn1[nH]c(C)c(CNC(=O)C(C)C)c1=O
InChIInChI=1S/C11H19N3O2/c1-5-14-11(16)9(8(4)13-14)6-12-10(15)7(2)3/h7,13H,5-6H2,1-4H3,(H,12,15)
InChIKeyXPVMCRDUCZMDOV-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.78
Rot. Bonds4

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

N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide (PubChem CID 121368087) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
PubChem CID121368087
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCCn1[nH]c(C)c(CNC(=O)C(C)C)c1=O
InChIInChI=1S/C11H19N3O2/c1-5-14-11(16)9(8(4)13-14)6-12-10(15)7(2)3/h7,13H,5-6H2,1-4H3,(H,12,15)
InChIKeyXPVMCRDUCZMDOV-UHFFFAOYSA-N
XLogP0.78
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide (CID 121368087) is N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide is CCn1[nH]c(C)c(CNC(=O)C(C)C)c1=O.
What is the InChIKey of N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
The InChIKey is XPVMCRDUCZMDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-14-11(16)9(8(4)13-14)6-12-10(15)7(2)3/h7,13H,5-6H2,1-4H3,(H,12,15).
What are the key properties of N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide?
N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide has a molecular weight of 225.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 121368087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).