2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide

C12H22N4O — CID 82702599

IUPAC2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1nc(CC)c(N)c1CC
InChIInChI=1S/C12H22N4O/c1-5-9-11(13)10(6-2)16(15-9)8(4)12(17)14-7-3/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyBOXIRRHKXLRNMW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.29
Rot. Bonds5

About 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide

2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide (PubChem CID 82702599) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide
PubChem CID82702599
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1nc(CC)c(N)c1CC
InChIInChI=1S/C12H22N4O/c1-5-9-11(13)10(6-2)16(15-9)8(4)12(17)14-7-3/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyBOXIRRHKXLRNMW-UHFFFAOYSA-N
XLogP1.29
TPSA72.94 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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide (CID 82702599) is 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1nc(CC)c(N)c1CC.
What is the InChIKey of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide?
The InChIKey is BOXIRRHKXLRNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-9-11(13)10(6-2)16(15-9)8(4)12(17)14-7-3/h8H,5-7,13H2,1-4H3,(H,14,17).
What are the key properties of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide?
2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 82702599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).