N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide

C20H18N4O4 — CID 91892888

IUPACN-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
SMILESCOc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)c1
InChIInChI=1S/C20H18N4O4/c1-27-16-4-2-3-14(11-16)17-12-18-20(26)23(8-9-24(18)22-17)7-6-21-19(25)15-5-10-28-13-15/h2-5,8-13H,6-7H2,1H3,(H,21,25)
InChIKeyPUJTXNLXBAZULB-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.19
Rot. Bonds6

About N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide

N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide (PubChem CID 91892888) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
PubChem CID91892888
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
SMILESCOc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)c1
InChIInChI=1S/C20H18N4O4/c1-27-16-4-2-3-14(11-16)17-12-18-20(26)23(8-9-24(18)22-17)7-6-21-19(25)15-5-10-28-13-15/h2-5,8-13H,6-7H2,1H3,(H,21,25)
InChIKeyPUJTXNLXBAZULB-UHFFFAOYSA-N
XLogP2.19
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-((3r,5s)-1-(Benzofuran-3-Carbonyl)-5-(Ethylcarbamoyl)pyrrolidin-3-Yl)-3-Ethyl-1-Methyl-1h-Pyrazole-5-Carboxamide
CID 72725792
N-(4-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 5433092
N-(4-{N-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 5454921
N-(3-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 9617778
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CID 49865463
2-[4-oxo-2-(3-piperidin-1-ylpropoxy)-6-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 49865507
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-(4-methoxybenzyl)acetamide
CID 16028260
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(furan-2-YL)ethyl]propanamide
CID 20919735
1-(2,5-dimethyl-3-furoyl)-N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-2-piperidinecarboxamide
CID 24791263
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide (CID 91892888) is N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide is COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)c1.
What is the InChIKey of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The InChIKey is PUJTXNLXBAZULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-27-16-4-2-3-14(11-16)17-12-18-20(26)23(8-9-24(18)22-17)7-6-21-19(25)15-5-10-28-13-15/h2-5,8-13H,6-7H2,1H3,(H,21,25).
What are the key properties of N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 91892888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).