N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide

C19H24N4O2 — CID 24817529

IUPACN-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1C1CCN(C(=O)c2cccc(C)c2C)CC1
InChIInChI=1S/C19H24N4O2/c1-13-5-4-6-17(14(13)2)19(25)22-11-8-16(9-12-22)23-18(7-10-20-23)21-15(3)24/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,21,24)
InChIKeyJDLRULKWRKCAPQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.94
Rot. Bonds3

About N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide

N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 24817529) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID24817529
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1C1CCN(C(=O)c2cccc(C)c2C)CC1
InChIInChI=1S/C19H24N4O2/c1-13-5-4-6-17(14(13)2)19(25)22-11-8-16(9-12-22)23-18(7-10-20-23)21-15(3)24/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,21,24)
InChIKeyJDLRULKWRKCAPQ-UHFFFAOYSA-N
XLogP2.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
CID 25118220
N-Cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25052767
N-Cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-5-fluoro-4-methylbenzamide
CID 25118571
N-Cyclopropyl-3-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25119991
N-Cyclopropyl-3-(1-(2-fluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 46197240
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
N-Cyclopropyl-4-methyl-3-(7-methyl-6-oxo-1-o-tolyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 25118219
N-Cyclopropyl-3-(1-(2,5-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25119294
3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
CID 25119643
3-[1-(2,6-Difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide
CID 25119645
Gsk-5498A
CID 46945384
1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67283623

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide (CID 24817529) is N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccnn1C1CCN(C(=O)c2cccc(C)c2C)CC1.
What is the InChIKey of N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is JDLRULKWRKCAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-5-4-6-17(14(13)2)19(25)22-11-8-16(9-12-22)23-18(7-10-20-23)21-15(3)24/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 24817529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).