2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide

C17H28N4O3 — CID 91778612

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCC2(N(C)C)CCOCC2)c1C
InChIInChI=1S/C17H28N4O3/c1-12-16(14(3)22)13(2)21(19-12)10-15(23)18-11-17(20(4)5)6-8-24-9-7-17/h6-11H2,1-5H3,(H,18,23)
InChIKeyVHKXRMZGLWXLNQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.93
Rot. Bonds6

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide (PubChem CID 91778612) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide
PubChem CID91778612
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCC2(N(C)C)CCOCC2)c1C
InChIInChI=1S/C17H28N4O3/c1-12-16(14(3)22)13(2)21(19-12)10-15(23)18-11-17(20(4)5)6-8-24-9-7-17/h6-11H2,1-5H3,(H,18,23)
InChIKeyVHKXRMZGLWXLNQ-UHFFFAOYSA-N
XLogP0.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 118789434
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide
CID 131951454
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 118776267
(3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide
CID 72881056
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 91796824
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 113313077
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91790453
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
CID 131922267
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 77081443
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 19525666
N-[(4-hydroxyoxan-4-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide (CID 91778612) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide is CC(=O)c1c(C)nn(CC(=O)NCC2(N(C)C)CCOCC2)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide?
The InChIKey is VHKXRMZGLWXLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12-16(14(3)22)13(2)21(19-12)10-15(23)18-11-17(20(4)5)6-8-24-9-7-17/h6-11H2,1-5H3,(H,18,23).
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide is sourced from PubChem (CID 91778612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).