N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide

C14H20N4O3 — CID 154869729

IUPACN-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CC(=O)NC2=O)cnn1CCC(C)C
InChIInChI=1S/C14H20N4O3/c1-8(2)4-5-18-9(3)10(7-15-18)13(20)16-11-6-12(19)17-14(11)21/h7-8,11H,4-6H2,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyJURPFZHRNQOYOE-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.38
Rot. Bonds5

About N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide

N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide (PubChem CID 154869729) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide
PubChem CID154869729
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CC(=O)NC2=O)cnn1CCC(C)C
InChIInChI=1S/C14H20N4O3/c1-8(2)4-5-18-9(3)10(7-15-18)13(20)16-11-6-12(19)17-14(11)21/h7-8,11H,4-6H2,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyJURPFZHRNQOYOE-UHFFFAOYSA-N
XLogP0.38
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
CID 110485263
ethyl 5-methyl-1-(3-methylbutyl)pyrazole-4-carboxylate
CID 63235032
(3S,4S)-4-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 122112047
N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 146129208
5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117136
6-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122112776
1,5-dimethyl-N-[(1R,2S)-2-(3-methylbutoxy)cyclohexyl]pyrazole-4-carboxamide
CID 97061084
N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 66187230
N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894268
N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
CID 110460593
N-(2,5-dioxopyrrolidin-3-yl)-4-hydroxybenzamide
CID 110462643
(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 97283275

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide (CID 154869729) is N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide is Cc1c(C(=O)NC2CC(=O)NC2=O)cnn1CCC(C)C.
What is the InChIKey of N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide?
The InChIKey is JURPFZHRNQOYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-8(2)4-5-18-9(3)10(7-15-18)13(20)16-11-6-12(19)17-14(11)21/h7-8,11H,4-6H2,1-3H3,(H,16,20)(H,17,19,21).
What are the key properties of N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide?
N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-3-yl)-5-methyl-1-(3-methylbutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 154869729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).