2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide

C11H20N4O — CID 103000916

IUPAC2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCCc1ccnn1C
InChIInChI=1S/C11H20N4O/c1-9(2)14-11(16)8-12-6-4-10-5-7-13-15(10)3/h5,7,9,12H,4,6,8H2,1-3H3,(H,14,16)
InChIKeyFVTIKOYQXCWSLE-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.08
Rot. Bonds6

About 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide

2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 103000916) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
PubChem CID103000916
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCCc1ccnn1C
InChIInChI=1S/C11H20N4O/c1-9(2)14-11(16)8-12-6-4-10-5-7-13-15(10)3/h5,7,9,12H,4,6,8H2,1-3H3,(H,14,16)
InChIKeyFVTIKOYQXCWSLE-UHFFFAOYSA-N
XLogP0.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide 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

1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone
CID 103006184
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009670
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
CID 114168416
N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 103001655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide (CID 103000916) is 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCCc1ccnn1C.
What is the InChIKey of 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is FVTIKOYQXCWSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)14-11(16)8-12-6-4-10-5-7-13-15(10)3/h5,7,9,12H,4,6,8H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 224.31 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 103000916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).