5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C22H22N4O3 — CID 46566930

IUPAC5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)C1=NN(c2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C22H22N4O3/c1-14(20-12-15-8-6-7-11-19(15)29-20)25(2)22(28)17-13-18(21(23)27)26(24-17)16-9-4-3-5-10-16/h3-12,14,18H,13H2,1-2H3,(H2,23,27)
InChIKeyNZTQUOYFRPTDIA-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.07
Rot. Bonds5

About 5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 46566930) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID46566930
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)C1=NN(c2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C22H22N4O3/c1-14(20-12-15-8-6-7-11-19(15)29-20)25(2)22(28)17-13-18(21(23)27)26(24-17)16-9-4-3-5-10-16/h3-12,14,18H,13H2,1-2H3,(H2,23,27)
InChIKeyNZTQUOYFRPTDIA-UHFFFAOYSA-N
XLogP3.07
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide with MolForge

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 39976175
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyrazine-2-carboxamide
CID 46550839
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290
N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 46551193
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25354183
(3S)-5-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94562873

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 46566930) is 5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is CC(c1cc2ccccc2o1)N(C)C(=O)C1=NN(c2ccccc2)C(C(N)=O)C1.
What is the InChIKey of 5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is NZTQUOYFRPTDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14(20-12-15-8-6-7-11-19(15)29-20)25(2)22(28)17-13-18(21(23)27)26(24-17)16-9-4-3-5-10-16/h3-12,14,18H,13H2,1-2H3,(H2,23,27).
What are the key properties of 5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 46566930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).