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

C12H21N3O2 — CID 121368106

IUPAC2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]n(C(C)C)c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C12H21N3O2/c1-7(2)11(16)13-6-10-9(5)14-15(8(3)4)12(10)17/h7-8,14H,6H2,1-5H3,(H,13,16)
InChIKeyBJGLDHSDANVIDA-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.34
Rot. Bonds4

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

2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 121368106) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID121368106
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]n(C(C)C)c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C12H21N3O2/c1-7(2)11(16)13-6-10-9(5)14-15(8(3)4)12(10)17/h7-8,14H,6H2,1-5H3,(H,13,16)
InChIKeyBJGLDHSDANVIDA-UHFFFAOYSA-N
XLogP1.34
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide (CID 121368106) is 2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide is Cc1[nH]n(C(C)C)c(=O)c1CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is BJGLDHSDANVIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-7(2)11(16)13-6-10-9(5)14-15(8(3)4)12(10)17/h7-8,14H,6H2,1-5H3,(H,13,16).
What are the key properties of 2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide?
2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 239.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 121368106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).