N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide

C25H23N3O3 — CID 34907626

IUPACN-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C25H23N3O3/c1-18-23(19(2)28(26-18)21-12-7-4-8-13-21)24(29)25(30)27(17-22-14-9-15-31-22)16-20-10-5-3-6-11-20/h3-15H,16-17H2,1-2H3
InChIKeyGQYLAOKTXYIEPB-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.49
Rot. Bonds7

About N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide

N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide (PubChem CID 34907626) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
PubChem CID34907626
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C25H23N3O3/c1-18-23(19(2)28(26-18)21-12-7-4-8-13-21)24(29)25(30)27(17-22-14-9-15-31-22)16-20-10-5-3-6-11-20/h3-15H,16-17H2,1-2H3
InChIKeyGQYLAOKTXYIEPB-UHFFFAOYSA-N
XLogP4.49
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 37428862
N-(1,3-benzodioxol-5-ylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethyl-2-oxoacetamide
CID 55446485
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide
CID 18118227
N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 46449018
N'-benzyl-N'-(furan-2-ylmethyl)-N-phenyloxamide
CID 75493351
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide
CID 71846274
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780903
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
diethyl 2-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethylidene]propanedioate
CID 122363253

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide?
The IUPAC name of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide (CID 34907626) is N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide?
The InChIKey is GQYLAOKTXYIEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-18-23(19(2)28(26-18)21-12-7-4-8-13-21)24(29)25(30)27(17-22-14-9-15-31-22)16-20-10-5-3-6-11-20/h3-15H,16-17H2,1-2H3.
What are the key properties of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide?
N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide has a molecular weight of 413.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide is sourced from PubChem (CID 34907626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).