2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide

C11H19N3O — CID 19329164

IUPAC2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C11H19N3O/c1-4-9(5-2)11(15)12-8-10-6-7-14(3)13-10/h6-7,9H,4-5,8H2,1-3H3,(H,12,15)
InChIKeyDVMTWBQDLHWVJM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds5

About 2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide

2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide (PubChem CID 19329164) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
PubChem CID19329164
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C11H19N3O/c1-4-9(5-2)11(15)12-8-10-6-7-14(3)13-10/h6-7,9H,4-5,8H2,1-3H3,(H,12,15)
InChIKeyDVMTWBQDLHWVJM-UHFFFAOYSA-N
XLogP1.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 82873693
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19330957
2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide
CID 82881520
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide (CID 19329164) is 2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide is CCC(CC)C(=O)NCc1ccn(C)n1.
What is the InChIKey of 2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The InChIKey is DVMTWBQDLHWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-9(5-2)11(15)12-8-10-6-7-14(3)13-10/h6-7,9H,4-5,8H2,1-3H3,(H,12,15).
What are the key properties of 2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide has a molecular weight of 209.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 19329164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).