N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide

C11H14N4O3 — CID 138467248

IUPACN-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCC(=O)NC1=O
InChIInChI=1S/C11H14N4O3/c1-14-6-7(5-12-14)11(18)15(2)8-3-4-9(16)13-10(8)17/h5-6,8H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyPJYWESOUWRJEQS-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.70
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide

N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 138467248) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide
PubChem CID138467248
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCC(=O)NC1=O
InChIInChI=1S/C11H14N4O3/c1-14-6-7(5-12-14)11(18)15(2)8-3-4-9(16)13-10(8)17/h5-6,8H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyPJYWESOUWRJEQS-UHFFFAOYSA-N
XLogP-0.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16190577
N-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 45831942
(2S)-2-methyl-1-(1-methyl-1H-pyrazole-4-carbonyl)piperazine dihydrochloride
CID 170913622
5-[1-(1-Methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201713
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47220435
8-(1-Tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56814694
N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4-(1-piperidinyl)butanamide
CID 72881466
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide
CID 96522378
(4S)-4-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]pentanamide
CID 125438545
5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 138036938
N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide
CID 90189343
1-[(3R)-1-[(E)-4-fluorobut-2-enoyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 172790563

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide (CID 138467248) is N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is PJYWESOUWRJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-14-6-7(5-12-14)11(18)15(2)8-3-4-9(16)13-10(8)17/h5-6,8H,3-4H2,1-2H3,(H,13,16,17).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 138467248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).