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

C9H15N3O — CID 60767865

IUPAC2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)C(C)C
InChIInChI=1S/C9H15N3O/c1-6(2)9(13)10-4-8-5-11-12-7(8)3/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyWQQXWSVMINOKOE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.99
Rot. Bonds3

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

2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 60767865) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID60767865
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)C(C)C
InChIInChI=1S/C9H15N3O/c1-6(2)9(13)10-4-8-5-11-12-7(8)3/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyWQQXWSVMINOKOE-UHFFFAOYSA-N
XLogP0.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[(5-methyl-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-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (CID 60767865) is 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is Cc1[nH]ncc1CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is WQQXWSVMINOKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)9(13)10-4-8-5-11-12-7(8)3/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 60767865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).