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

C15H18N4O3 — CID 20928920

IUPACN-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCC(=O)N2CC(=O)NCc1ccc(C)o1
InChIInChI=1S/C15H18N4O3/c1-10-7-14-18(15(21)5-6-19(14)17-10)9-13(20)16-8-12-4-3-11(2)22-12/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)
InChIKeyCJPDOKGPQGFAQE-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.15
Rot. Bonds4

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

N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide (PubChem CID 20928920) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
PubChem CID20928920
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCC(=O)N2CC(=O)NCc1ccc(C)o1
InChIInChI=1S/C15H18N4O3/c1-10-7-14-18(15(21)5-6-19(14)17-10)9-13(20)16-8-12-4-3-11(2)22-12/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)
InChIKeyCJPDOKGPQGFAQE-UHFFFAOYSA-N
XLogP1.15
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide (CID 20928920) is N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide is Cc1cc2n(n1)CCC(=O)N2CC(=O)NCc1ccc(C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The InChIKey is CJPDOKGPQGFAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-7-14-18(15(21)5-6-19(14)17-10)9-13(20)16-8-12-4-3-11(2)22-12/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide has a molecular weight of 302.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 20928920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).