N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide

C14H16N4O3 — CID 20928856

IUPACN-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCC(=O)N2CC(=O)NCc1ccco1
InChIInChI=1S/C14H16N4O3/c1-10-7-13-17(14(20)4-5-18(13)16-10)9-12(19)15-8-11-3-2-6-21-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,19)
InChIKeyCCOWOFJZLBWMGM-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.84
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide

N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide (PubChem CID 20928856) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
PubChem CID20928856
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCC(=O)N2CC(=O)NCc1ccco1
InChIInChI=1S/C14H16N4O3/c1-10-7-13-17(14(20)4-5-18(13)16-10)9-12(19)15-8-11-3-2-6-21-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,19)
InChIKeyCCOWOFJZLBWMGM-UHFFFAOYSA-N
XLogP0.84
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928920
N-[(4-ethylphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928903
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928946
2-(6-ethyl-2-oxothieno[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 20974369
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 122244396
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 7272858
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 2705893
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20928916
2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 94765439

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide (CID 20928856) is N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide is Cc1cc2n(n1)CCC(=O)N2CC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The InChIKey is CCOWOFJZLBWMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-7-13-17(14(20)4-5-18(13)16-10)9-12(19)15-8-11-3-2-6-21-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 20928856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).