2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide

C16H30N4O — CID 61486141

IUPAC2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCCNCc1c(C)nn(CC(=O)NC(C)(C)CC)c1C
InChIInChI=1S/C16H30N4O/c1-7-9-17-10-14-12(3)19-20(13(14)4)11-15(21)18-16(5,6)8-2/h17H,7-11H2,1-6H3,(H,18,21)
InChIKeyRYOIEQQAXDYNMK-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.30
Rot. Bonds8

About 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide

2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 61486141) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID61486141
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCCNCc1c(C)nn(CC(=O)NC(C)(C)CC)c1C
InChIInChI=1S/C16H30N4O/c1-7-9-17-10-14-12(3)19-20(13(14)4)11-15(21)18-16(5,6)8-2/h17H,7-11H2,1-6H3,(H,18,21)
InChIKeyRYOIEQQAXDYNMK-UHFFFAOYSA-N
XLogP2.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.30
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

N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide
CID 43647907
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43647870
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401288
3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide
CID 43647869
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 43647788
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401290
N-[[1-(2-ethylsulfanylethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 113473948
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethylacetamide
CID 43647675
2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115616718
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 55081752
3-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-2,2-dimethylpropanoic acid
CID 79620308
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61483888

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 61486141) is 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCCNCc1c(C)nn(CC(=O)NC(C)(C)CC)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is RYOIEQQAXDYNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-9-17-10-14-12(3)19-20(13(14)4)11-15(21)18-16(5,6)8-2/h17H,7-11H2,1-6H3,(H,18,21).
What are the key properties of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 294.44 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61486141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).