2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide

C11H20N4O — CID 106757076

IUPAC2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1ccnn1C
InChIInChI=1S/C11H20N4O/c1-8(2)14-11(16)7-12-9(3)10-5-6-13-15(10)4/h5-6,8-9,12H,7H2,1-4H3,(H,14,16)
InChIKeyMLSPLVZFSXXXSX-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.60
Rot. Bonds5

About 2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide

2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 106757076) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
PubChem CID106757076
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1ccnn1C
InChIInChI=1S/C11H20N4O/c1-8(2)14-11(16)7-12-9(3)10-5-6-13-15(10)4/h5-6,8-9,12H,7H2,1-4H3,(H,14,16)
InChIKeyMLSPLVZFSXXXSX-UHFFFAOYSA-N
XLogP0.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 106757536
N-[(1S)-1-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide
CID 167843954
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 106757861
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclopropyl]methanol
CID 106757997
N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757054

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide (CID 106757076) is 2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(C)c1ccnn1C.
What is the InChIKey of 2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is MLSPLVZFSXXXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)14-11(16)7-12-9(3)10-5-6-13-15(10)4/h5-6,8-9,12H,7H2,1-4H3,(H,14,16).
What are the key properties of 2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 224.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 106757076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).