N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide

C20H18N4O3 — CID 16956925

IUPACN-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccco4)ccn3n2)cc1
InChIInChI=1S/C20H18N4O3/c1-14-4-6-15(7-5-14)17-11-18-20(26)23(8-9-24(18)22-17)13-19(25)21-12-16-3-2-10-27-16/h2-11H,12-13H2,1H3,(H,21,25)
InChIKeyYDVOMELJAYRGSD-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.38
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide

N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 16956925) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID16956925
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccco4)ccn3n2)cc1
InChIInChI=1S/C20H18N4O3/c1-14-4-6-15(7-5-14)17-11-18-20(26)23(8-9-24(18)22-17)13-19(25)21-12-16-3-2-10-27-16/h2-11H,12-13H2,1H3,(H,21,25)
InChIKeyYDVOMELJAYRGSD-UHFFFAOYSA-N
XLogP2.38
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 16957015
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509333
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 50926057
N-(2-fluorophenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875760
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956872
N-(3-chloro-4-methylphenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875770
N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747939
2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16875796
2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(furan-2-ylmethyl)acetamide
CID 46395088
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16956891
N-benzyl-3-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)propanamide
CID 53152439

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 16956925) is N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is Cc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccco4)ccn3n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is YDVOMELJAYRGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-14-4-6-15(7-5-14)17-11-18-20(26)23(8-9-24(18)22-17)13-19(25)21-12-16-3-2-10-27-16/h2-11H,12-13H2,1H3,(H,21,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 16956925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).