N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide

C15H28N4O — CID 103107285

IUPACN-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(C)c1c(C)nn(CC)c1C
InChIInChI=1S/C15H28N4O/c1-8-18(7)15(20)12(5)16-10(3)14-11(4)17-19(9-2)13(14)6/h10,12,16H,8-9H2,1-7H3
InChIKeyODUXRSWEDVZDFP-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.04
Rot. Bonds6

About N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide

N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide (PubChem CID 103107285) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide
PubChem CID103107285
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(C)c1c(C)nn(CC)c1C
InChIInChI=1S/C15H28N4O/c1-8-18(7)15(20)12(5)16-10(3)14-11(4)17-19(9-2)13(14)6/h10,12,16H,8-9H2,1-7H3
InChIKeyODUXRSWEDVZDFP-UHFFFAOYSA-N
XLogP2.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide (CID 103107285) is N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide is CCN(C)C(=O)C(C)NC(C)c1c(C)nn(CC)c1C.
What is the InChIKey of N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide?
The InChIKey is ODUXRSWEDVZDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-8-18(7)15(20)12(5)16-10(3)14-11(4)17-19(9-2)13(14)6/h10,12,16H,8-9H2,1-7H3.
What are the key properties of N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide?
N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide has a molecular weight of 280.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide is sourced from PubChem (CID 103107285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).