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

C13H22N4O — CID 112669267

IUPAC2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
SMILESCCc1nn(C)cc1CNC(=O)CC1(N)CCC1
InChIInChI=1S/C13H22N4O/c1-3-11-10(9-17(2)16-11)8-15-12(18)7-13(14)5-4-6-13/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeySCPOBMBWRHMBHB-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.87
Rot. Bonds5

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

2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 112669267) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID112669267
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
SMILESCCc1nn(C)cc1CNC(=O)CC1(N)CCC1
InChIInChI=1S/C13H22N4O/c1-3-11-10(9-17(2)16-11)8-15-12(18)7-13(14)5-4-6-13/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeySCPOBMBWRHMBHB-UHFFFAOYSA-N
XLogP0.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 115886750
2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 107463005
1-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 112668695
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669329
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylpiperidine-4-carboxamide
CID 112669209
2-[[2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 115991130
2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669166
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide (CID 112669267) is 2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide is CCc1nn(C)cc1CNC(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is SCPOBMBWRHMBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-10(9-17(2)16-11)8-15-12(18)7-13(14)5-4-6-13/h9H,3-8,14H2,1-2H3,(H,15,18).
What are the key properties of 2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 112669267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).