1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide

C14H22N4O2 — CID 91938266

IUPAC1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C14H22N4O2/c1-10-12(9-17(3)16-10)13(19)15-11(2)14(20)18-7-5-4-6-8-18/h9,11H,4-8H2,1-3H3,(H,15,19)
InChIKeyIFFSZKSDTOMIJF-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.86
Rot. Bonds3

About 1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide

1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide (PubChem CID 91938266) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide
PubChem CID91938266
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C14H22N4O2/c1-10-12(9-17(3)16-10)13(19)15-11(2)14(20)18-7-5-4-6-8-18/h9,11H,4-8H2,1-3H3,(H,15,19)
InChIKeyIFFSZKSDTOMIJF-UHFFFAOYSA-N
XLogP0.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 103791188
2,3-dihydroxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 114344654
2-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 61041045
2-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-propan-2-ylfuran-3-carboxamide
CID 146125060
5-bromo-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 65307144
N-(4-chloro-3-methylbutan-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802412
4-hydroxy-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103865363
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
CID 51390176
3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 49080458

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide (CID 91938266) is 1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NC(C)C(=O)N1CCCCC1.
What is the InChIKey of 1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide?
The InChIKey is IFFSZKSDTOMIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-12(9-17(3)16-10)13(19)15-11(2)14(20)18-7-5-4-6-8-18/h9,11H,4-8H2,1-3H3,(H,15,19).
What are the key properties of 1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide?
1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 91938266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).