2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide

C12H22N4O — CID 65192271

IUPAC2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(C)c1cn(C)nc1C
InChIInChI=1S/C12H22N4O/c1-6-13-12(17)10(4)14-8(2)11-7-16(5)15-9(11)3/h7-8,10,14H,6H2,1-5H3,(H,13,17)
InChIKeyKFUSHYNBRIFIQH-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.90
Rot. Bonds5

About 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide

2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide (PubChem CID 65192271) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide
PubChem CID65192271
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(C)c1cn(C)nc1C
InChIInChI=1S/C12H22N4O/c1-6-13-12(17)10(4)14-8(2)11-7-16(5)15-9(11)3/h7-8,10,14H,6H2,1-5H3,(H,13,17)
InChIKeyKFUSHYNBRIFIQH-UHFFFAOYSA-N
XLogP0.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 65191852
N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43574139
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine
CID 65191908
N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
CID 43574263
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 43226363
2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide
CID 81301009
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea
CID 19469249
(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-phenylethanamine
CID 81351580
N-(dicyclopropylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191955
2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 112671060

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide?
The IUPAC name of 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide (CID 65192271) is 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide is CCNC(=O)C(C)NC(C)c1cn(C)nc1C.
What is the InChIKey of 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide?
The InChIKey is KFUSHYNBRIFIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-6-13-12(17)10(4)14-8(2)11-7-16(5)15-9(11)3/h7-8,10,14H,6H2,1-5H3,(H,13,17).
What are the key properties of 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide?
2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide is sourced from PubChem (CID 65192271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).