2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide

C17H23N3O2 — CID 111472022

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCCC(O)c2ccccc2)n1
InChIInChI=1S/C17H23N3O2/c1-12-11-13(2)20(19-12)14(3)17(22)18-10-9-16(21)15-7-5-4-6-8-15/h4-8,11,14,16,21H,9-10H2,1-3H3,(H,18,22)
InChIKeyIFAJAVWBBJZSDP-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.30
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide (PubChem CID 111472022) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
PubChem CID111472022
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCCC(O)c2ccccc2)n1
InChIInChI=1S/C17H23N3O2/c1-12-11-13(2)20(19-12)14(3)17(22)18-10-9-16(21)15-7-5-4-6-8-15/h4-8,11,14,16,21H,9-10H2,1-3H3,(H,18,22)
InChIKeyIFAJAVWBBJZSDP-UHFFFAOYSA-N
XLogP2.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
N-[2-(benzenesulfinyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 56787038
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
CID 75381510
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
(2S)-N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 92627254
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide
CID 96567828
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 95630274
N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
CID 119422814
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide (CID 111472022) is 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide is Cc1cc(C)n(C(C)C(=O)NCCC(O)c2ccccc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide?
The InChIKey is IFAJAVWBBJZSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-11-13(2)20(19-12)14(3)17(22)18-10-9-16(21)15-7-5-4-6-8-15/h4-8,11,14,16,21H,9-10H2,1-3H3,(H,18,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide is sourced from PubChem (CID 111472022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).