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

C11H19N3O2 — CID 168788069

IUPAC2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide
SMILESCn1[nH]c(CCNC(=O)C(C)(C)C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-11(2,3)10(16)12-6-5-8-7-9(15)14(4)13-8/h7,13H,5-6H2,1-4H3,(H,12,16)
InChIKeyHAOJJSXPQPELJS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.42
Rot. Bonds3

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

2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide (PubChem CID 168788069) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide
PubChem CID168788069
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide
SMILESCn1[nH]c(CCNC(=O)C(C)(C)C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-11(2,3)10(16)12-6-5-8-7-9(15)14(4)13-8/h7,13H,5-6H2,1-4H3,(H,12,16)
InChIKeyHAOJJSXPQPELJS-UHFFFAOYSA-N
XLogP0.42
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide (CID 168788069) is 2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide is Cn1[nH]c(CCNC(=O)C(C)(C)C)cc1=O.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide?
The InChIKey is HAOJJSXPQPELJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)10(16)12-6-5-8-7-9(15)14(4)13-8/h7,13H,5-6H2,1-4H3,(H,12,16).
What are the key properties of 2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 168788069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).