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

C21H30N4O — CID 37031971

IUPAC3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCc2cnn(-c3ccccc3)c2)CC(C)(C)N1
InChIInChI=1S/C21H30N4O/c1-20(2)12-17(13-21(3,4)24-20)23-19(26)11-10-16-14-22-25(15-16)18-8-6-5-7-9-18/h5-9,14-15,17,24H,10-13H2,1-4H3,(H,23,26)
InChIKeyRUEKSHASKJMBEH-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.23
Rot. Bonds5

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

3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 37031971) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID37031971
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCc2cnn(-c3ccccc3)c2)CC(C)(C)N1
InChIInChI=1S/C21H30N4O/c1-20(2)12-17(13-21(3,4)24-20)23-19(26)11-10-16-14-22-25(15-16)18-8-6-5-7-9-18/h5-9,14-15,17,24H,10-13H2,1-4H3,(H,23,26)
InChIKeyRUEKSHASKJMBEH-UHFFFAOYSA-N
XLogP3.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 119108580
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 35331106
[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031247
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 167759352
2-[1-[3-(1-phenylpyrazol-4-yl)propanoylamino]cyclobutyl]acetic acid
CID 119218093
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
methyl 4-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
CID 55808660
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 120507987
cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675168
1-phenyl-4-propylpyrazole
CID 12902534

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 37031971) is 3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CC1(C)CC(NC(=O)CCc2cnn(-c3ccccc3)c2)CC(C)(C)N1.
What is the InChIKey of 3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is RUEKSHASKJMBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-20(2)12-17(13-21(3,4)24-20)23-19(26)11-10-16-14-22-25(15-16)18-8-6-5-7-9-18/h5-9,14-15,17,24H,10-13H2,1-4H3,(H,23,26).
What are the key properties of 3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 354.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 37031971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).