2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide

C12H22N4O — CID 112685077

IUPAC2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCC(C)(C)NCC(=O)NCCCn1cccn1
InChIInChI=1S/C12H22N4O/c1-12(2,3)14-10-11(17)13-6-4-8-16-9-5-7-15-16/h5,7,9,14H,4,6,8,10H2,1-3H3,(H,13,17)
InChIKeyMFRTZDBEQJACJK-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.78
Rot. Bonds6

About 2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide

2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide (PubChem CID 112685077) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
PubChem CID112685077
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCC(C)(C)NCC(=O)NCCCn1cccn1
InChIInChI=1S/C12H22N4O/c1-12(2,3)14-10-11(17)13-6-4-8-16-9-5-7-15-16/h5,7,9,14H,4,6,8,10H2,1-3H3,(H,13,17)
InChIKeyMFRTZDBEQJACJK-UHFFFAOYSA-N
XLogP0.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide
CID 54951704
2-(2-methoxyethylamino)-N-(3-pyrazol-1-ylpropyl)acetamide;hydrochloride
CID 119709927
N-tert-butyl-5-pyrazol-1-ylpentan-1-amine
CID 62447161
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
CID 69176267
2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 115761179
2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide
CID 103725431
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
CID 119709906
1-tert-butyl-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110967371

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide (CID 112685077) is 2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide is CC(C)(C)NCC(=O)NCCCn1cccn1.
What is the InChIKey of 2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is MFRTZDBEQJACJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)14-10-11(17)13-6-4-8-16-9-5-7-15-16/h5,7,9,14H,4,6,8,10H2,1-3H3,(H,13,17).
What are the key properties of 2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide?
2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 112685077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).