N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide

C17H28N6O — CID 50975212

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide
SMILESCCn1nc(C)c(NC(=O)CNC(c2nccn2C)C(C)C)c1C
InChIInChI=1S/C17H28N6O/c1-7-23-13(5)16(12(4)21-23)20-14(24)10-19-15(11(2)3)17-18-8-9-22(17)6/h8-9,11,15,19H,7,10H2,1-6H3,(H,20,24)
InChIKeyXDRCNWLYWYTFOY-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.18
Rot. Bonds7

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide (PubChem CID 50975212) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide
PubChem CID50975212
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide
SMILESCCn1nc(C)c(NC(=O)CNC(c2nccn2C)C(C)C)c1C
InChIInChI=1S/C17H28N6O/c1-7-23-13(5)16(12(4)21-23)20-14(24)10-19-15(11(2)3)17-18-8-9-22(17)6/h8-9,11,15,19H,7,10H2,1-6H3,(H,20,24)
InChIKeyXDRCNWLYWYTFOY-UHFFFAOYSA-N
XLogP2.18
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide (CID 50975212) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide is CCn1nc(C)c(NC(=O)CNC(c2nccn2C)C(C)C)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide?
The InChIKey is XDRCNWLYWYTFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-7-23-13(5)16(12(4)21-23)20-14(24)10-19-15(11(2)3)17-18-8-9-22(17)6/h8-9,11,15,19H,7,10H2,1-6H3,(H,20,24).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide has a molecular weight of 332.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]acetamide is sourced from PubChem (CID 50975212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).