ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

C15H28N4O2 — CID 144869267

IUPACethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESC.CC.CNC(=O)CCC(=O)N1CCCn2nc(C)cc21
InChIInChI=1S/C12H18N4O2.C2H6.CH4/c1-9-8-11-15(6-3-7-16(11)14-9)12(18)5-4-10(17)13-2;1-2;/h8H,3-7H2,1-2H3,(H,13,17);1-2H3;1H4
InChIKeyGKNVLXKPILFYND-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.12
Rot. Bonds3

About ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (PubChem CID 144869267) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound Nameethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
PubChem CID144869267
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Nameethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESC.CC.CNC(=O)CCC(=O)N1CCCn2nc(C)cc21
InChIInChI=1S/C12H18N4O2.C2H6.CH4/c1-9-8-11-15(6-3-7-16(11)14-9)12(18)5-4-10(17)13-2;1-2;/h8H,3-7H2,1-2H3,(H,13,17);1-2H3;1H4
InChIKeyGKNVLXKPILFYND-UHFFFAOYSA-N
XLogP2.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-piperidin-1-ylbutane-1,4-dione
CID 20929185
N-(3-methylbutyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 46282395
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 46282397
N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 46282383
N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165652
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide
CID 118165651
4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid
CID 118165449
5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
CID 161423168
N-[4-(3-fluorophenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165508
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide
CID 118184676
N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165762
N-[6-(4-chlorophenyl)pyridazin-3-yl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165416

Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The IUPAC name of ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (CID 144869267) is ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The canonical SMILES for ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is C.CC.CNC(=O)CCC(=O)N1CCCn2nc(C)cc21.
What is the InChIKey of ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The InChIKey is GKNVLXKPILFYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.C2H6.CH4/c1-9-8-11-15(6-3-7-16(11)14-9)12(18)5-4-10(17)13-2;1-2;/h8H,3-7H2,1-2H3,(H,13,17);1-2H3;1H4.
What are the key properties of ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide has a molecular weight of 296.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 144869267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).