2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide

C13H24N4O — CID 112669166

IUPAC2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
SMILESCCc1nn(C)cc1CNC(=O)CNC(C)CC
InChIInChI=1S/C13H24N4O/c1-5-10(3)14-8-13(18)15-7-11-9-17(4)16-12(11)6-2/h9-10,14H,5-8H2,1-4H3,(H,15,18)
InChIKeyICFVZEKNZQURIW-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.99
Rot. Bonds7

About 2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide

2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 112669166) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID112669166
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
SMILESCCc1nn(C)cc1CNC(=O)CNC(C)CC
InChIInChI=1S/C13H24N4O/c1-5-10(3)14-8-13(18)15-7-11-9-17(4)16-12(11)6-2/h9-10,14H,5-8H2,1-4H3,(H,15,18)
InChIKeyICFVZEKNZQURIW-UHFFFAOYSA-N
XLogP0.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 112549530
N-butan-2-yl-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549294
2-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]butanamide
CID 112668671
2-[[2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 115991130
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549216
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-pentan-3-ylpropanamide
CID 115886870
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide (CID 112669166) is 2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide is CCc1nn(C)cc1CNC(=O)CNC(C)CC.
What is the InChIKey of 2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is ICFVZEKNZQURIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-10(3)14-8-13(18)15-7-11-9-17(4)16-12(11)6-2/h9-10,14H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 112669166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).