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

C12H20N4O — CID 106104898

IUPAC2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
SMILESCn1ccc(CCNC(=O)CC2(N)CCC2)n1
InChIInChI=1S/C12H20N4O/c1-16-8-4-10(15-16)3-7-14-11(17)9-12(13)5-2-6-12/h4,8H,2-3,5-7,9,13H2,1H3,(H,14,17)
InChIKeyXAROZOZBLOWETG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.35
Rot. Bonds5

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

2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide (PubChem CID 106104898) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
PubChem CID106104898
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
SMILESCn1ccc(CCNC(=O)CC2(N)CCC2)n1
InChIInChI=1S/C12H20N4O/c1-16-8-4-10(15-16)3-7-14-11(17)9-12(13)5-2-6-12/h4,8H,2-3,5-7,9,13H2,1H3,(H,14,17)
InChIKeyXAROZOZBLOWETG-UHFFFAOYSA-N
XLogP0.35
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105007
1-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106105095
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
3-amino-4,4-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143974
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide
CID 106104420
(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide
CID 106105015

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide (CID 106104898) is 2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide is Cn1ccc(CCNC(=O)CC2(N)CCC2)n1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is XAROZOZBLOWETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-8-4-10(15-16)3-7-14-11(17)9-12(13)5-2-6-12/h4,8H,2-3,5-7,9,13H2,1H3,(H,14,17).
What are the key properties of 2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 236.32 g/mol, XLogP of 0.35, 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-[2-(1-methylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 106104898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).