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

C16H21N3O2 — CID 63184682

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC(CO)c2ccccc2)n1
InChIInChI=1S/C16H21N3O2/c1-12-10-13(2)19(18-12)9-8-16(21)17-15(11-20)14-6-4-3-5-7-14/h3-7,10,15,20H,8-9,11H2,1-2H3,(H,17,21)
InChIKeyCYRQDADYIAZYSN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.74
Rot. Bonds6

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

3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide (PubChem CID 63184682) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
PubChem CID63184682
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC(CO)c2ccccc2)n1
InChIInChI=1S/C16H21N3O2/c1-12-10-13(2)19(18-12)9-8-16(21)17-15(11-20)14-6-4-3-5-7-14/h3-7,10,15,20H,8-9,11H2,1-2H3,(H,17,21)
InChIKeyCYRQDADYIAZYSN-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
CID 55751308
2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid
CID 62697672
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
CID 43171953
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-[(1R)-2-hydroxy-1-phenylethyl]-3-pyrrolidin-1-ylpropanamide
CID 103944653
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 103945268

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide (CID 63184682) is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide is Cc1cc(C)n(CCC(=O)NC(CO)c2ccccc2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide?
The InChIKey is CYRQDADYIAZYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-10-13(2)19(18-12)9-8-16(21)17-15(11-20)14-6-4-3-5-7-14/h3-7,10,15,20H,8-9,11H2,1-2H3,(H,17,21).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide is sourced from PubChem (CID 63184682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).