2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide

C13H22N4O — CID 81168482

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCC(C)n1cc(NC(=O)CC2(CN)CCC2)cn1
InChIInChI=1S/C13H22N4O/c1-10(2)17-8-11(7-15-17)16-12(18)6-13(9-14)4-3-5-13/h7-8,10H,3-6,9,14H2,1-2H3,(H,16,18)
InChIKeyZNKLBFBDYGAZBW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.92
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide (PubChem CID 81168482) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
PubChem CID81168482
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCC(C)n1cc(NC(=O)CC2(CN)CCC2)cn1
InChIInChI=1S/C13H22N4O/c1-10(2)17-8-11(7-15-17)16-12(18)6-13(9-14)4-3-5-13/h7-8,10H,3-6,9,14H2,1-2H3,(H,16,18)
InChIKeyZNKLBFBDYGAZBW-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
1-amino-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 75511870
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62904261
2-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 62902855
2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904611
1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62904289
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide (CID 81168482) is 2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide is CC(C)n1cc(NC(=O)CC2(CN)CCC2)cn1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The InChIKey is ZNKLBFBDYGAZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)17-8-11(7-15-17)16-12(18)6-13(9-14)4-3-5-13/h7-8,10H,3-6,9,14H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 81168482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).