N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide

C20H19N3O4 — CID 158752445

IUPACN-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide
SMILESCC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccoc1
InChIInChI=1S/C20H19N3O4/c1-13(24)19(25)17(10-14-6-4-3-5-7-14)21-20(26)16-11-23(2)22-18(16)15-8-9-27-12-15/h3-9,11-12,17H,10H2,1-2H3,(H,21,26)
InChIKeyFBGOOCLQINBKBK-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.18
Rot. Bonds7

About N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide

N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 158752445) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide
PubChem CID158752445
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide
SMILESCC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccoc1
InChIInChI=1S/C20H19N3O4/c1-13(24)19(25)17(10-14-6-4-3-5-7-14)21-20(26)16-11-23(2)22-18(16)15-8-9-27-12-15/h3-9,11-12,17H,10H2,1-2H3,(H,21,26)
InChIKeyFBGOOCLQINBKBK-UHFFFAOYSA-N
XLogP2.18
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
CID 159069154
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 134396739
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 134396763
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide
CID 134397583
N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide
CID 134397069
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-(3-cyanophenyl)-1-methylpyrazole-4-carboxamide
CID 142753771
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenyl-1-propan-2-ylpyrazole-4-carboxamide
CID 142753522
3-[(1-methyl-3-pyrimidin-4-ylpyrazole-4-carbonyl)amino]-2-oxo-4-phenylbutanoic acid
CID 153385879
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide
CID 134396806
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorothiophen-3-yl)-1-methylpyrazole-4-carboxamide
CID 134397631
N-[(3S)-1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl]-1-methyl-3-phenylpyrazole-4-carboxamide
CID 142753508
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-cyclopropyl-3-phenylpyrazole-4-carboxamide
CID 142753814

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide (CID 158752445) is N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide is CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccoc1.
What is the InChIKey of N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is FBGOOCLQINBKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13(24)19(25)17(10-14-6-4-3-5-7-14)21-20(26)16-11-23(2)22-18(16)15-8-9-27-12-15/h3-9,11-12,17H,10H2,1-2H3,(H,21,26).
What are the key properties of N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide?
N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 158752445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).