3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide

C25H28N4O3 — CID 53030540

IUPAC3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide
SMILESCc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)NCCCc3ccco3)c(=O)n2n1
InChIInChI=1S/C25H28N4O3/c1-17-8-4-5-11-20(17)22-16-24-28(3)18(2)21(25(31)29(24)27-22)12-13-23(30)26-14-6-9-19-10-7-15-32-19/h4-5,7-8,10-11,15-16H,6,9,12-14H2,1-3H3,(H,26,30)
InChIKeyOFDXGRCWXRJYAD-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.59
Rot. Bonds8

About 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide

3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide (PubChem CID 53030540) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide
PubChem CID53030540
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide
SMILESCc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)NCCCc3ccco3)c(=O)n2n1
InChIInChI=1S/C25H28N4O3/c1-17-8-4-5-11-20(17)22-16-24-28(3)18(2)21(25(31)29(24)27-22)12-13-23(30)26-14-6-9-19-10-7-15-32-19/h4-5,7-8,10-11,15-16H,6,9,12-14H2,1-3H3,(H,26,30)
InChIKeyOFDXGRCWXRJYAD-UHFFFAOYSA-N
XLogP3.59
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093256
3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide
CID 53030478
N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093229
N-[(4-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53030453
N-butyl-3-(4,5-dimethyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 53003490
6-[3-(azepan-1-yl)-3-oxopropyl]-2-(2-methoxyphenyl)-4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
CID 53030432
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide
CID 131951454
N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 56643056
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53030487
2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100597098
3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide
CID 92669336
N-[3-(furan-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 53283761

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide?
The IUPAC name of 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide (CID 53030540) is 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide.
What is the SMILES notation for 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide?
The canonical SMILES for 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide is Cc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)NCCCc3ccco3)c(=O)n2n1.
What is the InChIKey of 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide?
The InChIKey is OFDXGRCWXRJYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-8-4-5-11-20(17)22-16-24-28(3)18(2)21(25(31)29(24)27-22)12-13-23(30)26-14-6-9-19-10-7-15-32-19/h4-5,7-8,10-11,15-16H,6,9,12-14H2,1-3H3,(H,26,30).
What are the key properties of 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide?
3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide has a molecular weight of 432.52 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide is sourced from PubChem (CID 53030540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).