4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide

C20H26N4O2 — CID 46282398

IUPAC4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCC(=O)N2CCCn3nc(C)cc32)c(C)c1
InChIInChI=1S/C20H26N4O2/c1-13-10-14(2)20(15(3)11-13)21-17(25)6-7-19(26)23-8-5-9-24-18(23)12-16(4)22-24/h10-12H,5-9H2,1-4H3,(H,21,25)
InChIKeyZUIFMLUWHZJGFJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.27
Rot. Bonds4

About 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide

4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 46282398) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID46282398
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCC(=O)N2CCCn3nc(C)cc32)c(C)c1
InChIInChI=1S/C20H26N4O2/c1-13-10-14(2)20(15(3)11-13)21-17(25)6-7-19(26)23-8-5-9-24-18(23)12-16(4)22-24/h10-12H,5-9H2,1-4H3,(H,21,25)
InChIKeyZUIFMLUWHZJGFJ-UHFFFAOYSA-N
XLogP3.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide (CID 46282398) is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(NC(=O)CCC(=O)N2CCCn3nc(C)cc32)c(C)c1.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is ZUIFMLUWHZJGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-10-14(2)20(15(3)11-13)21-17(25)6-7-19(26)23-8-5-9-24-18(23)12-16(4)22-24/h10-12H,5-9H2,1-4H3,(H,21,25).
What are the key properties of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide?
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 354.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 46282398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).