N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide

C18H20N4O4 — CID 155977066

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide
SMILESCOc1cc(CNC(=O)CCn2ccn3nccc3c2=O)cc(OC)c1
InChIInChI=1S/C18H20N4O4/c1-25-14-9-13(10-15(11-14)26-2)12-19-17(23)4-6-21-7-8-22-16(18(21)24)3-5-20-22/h3,5,7-11H,4,6,12H2,1-2H3,(H,19,23)
InChIKeyPYRBWOULBKFJKP-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.22
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide

N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide (PubChem CID 155977066) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide
PubChem CID155977066
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide
SMILESCOc1cc(CNC(=O)CCn2ccn3nccc3c2=O)cc(OC)c1
InChIInChI=1S/C18H20N4O4/c1-25-14-9-13(10-15(11-14)26-2)12-19-17(23)4-6-21-7-8-22-16(18(21)24)3-5-20-22/h3,5,7-11H,4,6,12H2,1-2H3,(H,19,23)
InChIKeyPYRBWOULBKFJKP-UHFFFAOYSA-N
XLogP1.22
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332287
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332402
5-[2-(2-methoxyphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735022
5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
CID 146079696
N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324354
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892925
5-methyl-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carbohydrazide
CID 104735546
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide
CID 41109158
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-[(3,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55577207
N-[(4-bromophenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide (CID 155977066) is N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide is COc1cc(CNC(=O)CCn2ccn3nccc3c2=O)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide?
The InChIKey is PYRBWOULBKFJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-25-14-9-13(10-15(11-14)26-2)12-19-17(23)4-6-21-7-8-22-16(18(21)24)3-5-20-22/h3,5,7-11H,4,6,12H2,1-2H3,(H,19,23).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide?
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide has a molecular weight of 356.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanamide is sourced from PubChem (CID 155977066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).