N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H22N4O4 — CID 71797332

IUPACN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCc3cc(-c4ccco4)n(C)n3)CC2=O)c1
InChIInChI=1S/C21H22N4O4/c1-24-18(19-7-4-8-29-19)10-15(23-24)12-22-21(27)14-9-20(26)25(13-14)16-5-3-6-17(11-16)28-2/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,22,27)
InChIKeyACVARNQZDARUBB-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.36
Rot. Bonds6

About N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71797332) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71797332
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCc3cc(-c4ccco4)n(C)n3)CC2=O)c1
InChIInChI=1S/C21H22N4O4/c1-24-18(19-7-4-8-29-19)10-15(23-24)12-22-21(27)14-9-20(26)25(13-14)16-5-3-6-17(11-16)28-2/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,22,27)
InChIKeyACVARNQZDARUBB-UHFFFAOYSA-N
XLogP2.36
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 90569595
1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 16866574
1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16867459
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16867081
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94122457
1-(3-methoxyphenyl)-5-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxamide
CID 122261972
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55559152
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55559017
1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 90555086

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 71797332) is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)NCc3cc(-c4ccco4)n(C)n3)CC2=O)c1.
What is the InChIKey of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ACVARNQZDARUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-24-18(19-7-4-8-29-19)10-15(23-24)12-22-21(27)14-9-20(26)25(13-14)16-5-3-6-17(11-16)28-2/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,22,27).
What are the key properties of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71797332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).