2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide

C12H21N3O — CID 19290567

IUPAC2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1cnn(CC)c1
InChIInChI=1S/C12H21N3O/c1-4-11(5-2)12(16)13-7-10-8-14-15(6-3)9-10/h8-9,11H,4-7H2,1-3H3,(H,13,16)
InChIKeyLYQTUQQJIPXEFI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds6

About 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide

2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide (PubChem CID 19290567) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
PubChem CID19290567
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1cnn(CC)c1
InChIInChI=1S/C12H21N3O/c1-4-11(5-2)12(16)13-7-10-8-14-15(6-3)9-10/h8-9,11H,4-7H2,1-3H3,(H,13,16)
InChIKeyLYQTUQQJIPXEFI-UHFFFAOYSA-N
XLogP1.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide (CID 19290567) is 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide is CCC(CC)C(=O)NCc1cnn(CC)c1.
What is the InChIKey of 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide?
The InChIKey is LYQTUQQJIPXEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-11(5-2)12(16)13-7-10-8-14-15(6-3)9-10/h8-9,11H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide?
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide has a molecular weight of 223.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 19290567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).