N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide

C12H21N3O2 — CID 111543280

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H21N3O2/c1-12(2,17)9-14(3)11(16)6-5-10-7-13-15(4)8-10/h7-8,17H,5-6,9H2,1-4H3
InChIKeyJREZOYMLHVJFNV-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.58
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 111543280) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID111543280
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H21N3O2/c1-12(2,17)9-14(3)11(16)6-5-10-7-13-15(4)8-10/h7-8,17H,5-6,9H2,1-4H3
InChIKeyJREZOYMLHVJFNV-UHFFFAOYSA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 111542921
3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291504
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
2,2-dimethyl-6-(1-methylpyrazol-4-yl)hexan-3-one
CID 64505015
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
1,1,1-trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103007322
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide
CID 72907985
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 31843584
3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 134037132
3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride
CID 119834041

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide (CID 111543280) is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide is CN(CC(C)(C)O)C(=O)CCc1cnn(C)c1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is JREZOYMLHVJFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,17)9-14(3)11(16)6-5-10-7-13-15(4)8-10/h7-8,17H,5-6,9H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 239.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 111543280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).