2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide

C14H26N4O — CID 83082371

IUPAC2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-6-7-16-12(19)9-15-8-11-10-18(5)17-13(11)14(2,3)4/h10,15H,6-9H2,1-5H3,(H,16,19)
InChIKeyOIMXFKDWHUONCK-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.33
Rot. Bonds6

About 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide

2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide (PubChem CID 83082371) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide
PubChem CID83082371
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-6-7-16-12(19)9-15-8-11-10-18(5)17-13(11)14(2,3)4/h10,15H,6-9H2,1-5H3,(H,16,19)
InChIKeyOIMXFKDWHUONCK-UHFFFAOYSA-N
XLogP1.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103887696
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103887705
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 83082881
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 83083257
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 83092687
N-(2-cyanoethyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide
CID 112668879
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]prop-2-yn-1-amine
CID 83082202
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83083255
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115883596
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 166224576
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112705231
2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride
CID 120705294

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide (CID 83082371) is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide is CCCNC(=O)CNCc1cn(C)nc1C(C)(C)C.
What is the InChIKey of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide?
The InChIKey is OIMXFKDWHUONCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-7-16-12(19)9-15-8-11-10-18(5)17-13(11)14(2,3)4/h10,15H,6-9H2,1-5H3,(H,16,19).
What are the key properties of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide?
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide has a molecular weight of 266.39 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide is sourced from PubChem (CID 83082371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).