3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C23H34N4O — CID 35331106

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H34N4O/c1-16-20(17(2)27(25-16)19-10-8-7-9-11-19)12-13-21(28)24-18-14-22(3,4)26-23(5,6)15-18/h7-11,18,26H,12-15H2,1-6H3,(H,24,28)
InChIKeyMKEDRWSVOJIQBP-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.85
Rot. Bonds5

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 35331106) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID35331106
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H34N4O/c1-16-20(17(2)27(25-16)19-10-8-7-9-11-19)12-13-21(28)24-18-14-22(3,4)26-23(5,6)15-18/h7-11,18,26H,12-15H2,1-6H3,(H,24,28)
InChIKeyMKEDRWSVOJIQBP-UHFFFAOYSA-N
XLogP3.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 37031971
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea
CID 110747761
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 9398948
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide
CID 9428459
N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692259
N-(3-chloro-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9403949
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24791974
N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9141969
N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 39949423

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 35331106) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is MKEDRWSVOJIQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-16-20(17(2)27(25-16)19-10-8-7-9-11-19)12-13-21(28)24-18-14-22(3,4)26-23(5,6)15-18/h7-11,18,26H,12-15H2,1-6H3,(H,24,28).
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 382.55 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 35331106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).