3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide

C12H22N4O — CID 54951704

IUPAC3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCCn1cccn1
InChIInChI=1S/C12H22N4O/c1-12(2,3)14-7-5-11(17)13-8-10-16-9-4-6-15-16/h4,6,9,14H,5,7-8,10H2,1-3H3,(H,13,17)
InChIKeyASIFPAKVCGZRFV-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.78
Rot. Bonds6

About 3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide

3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide (PubChem CID 54951704) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide
PubChem CID54951704
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCCn1cccn1
InChIInChI=1S/C12H22N4O/c1-12(2,3)14-7-5-11(17)13-8-10-16-9-4-6-15-16/h4,6,9,14H,5,7-8,10H2,1-3H3,(H,13,17)
InChIKeyASIFPAKVCGZRFV-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

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Related Compounds

4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 112685077
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
N-tert-butyl-5-pyrazol-1-ylpentan-1-amine
CID 62447161
2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
CID 66176150
2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide
CID 61461806
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
1-tert-butyl-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 110967228
3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide
CID 104580184
2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid
CID 62821667

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide (CID 54951704) is 3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide is CC(C)(C)NCCC(=O)NCCn1cccn1.
What is the InChIKey of 3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide?
The InChIKey is ASIFPAKVCGZRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)14-7-5-11(17)13-8-10-16-9-4-6-15-16/h4,6,9,14H,5,7-8,10H2,1-3H3,(H,13,17).
What are the key properties of 3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide?
3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide 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 3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 54951704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).