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

C20H23N3O2 — CID 75381510

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCC(O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C20H23N3O2/c1-13-10-14(2)23(22-13)15(3)20(25)21-12-19(24)18-9-8-16-6-4-5-7-17(16)11-18/h4-11,15,19,24H,12H2,1-3H3,(H,21,25)
InChIKeyXZELEHCSALRFLC-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.06
Rot. Bonds5

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

2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide (PubChem CID 75381510) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
PubChem CID75381510
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCC(O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C20H23N3O2/c1-13-10-14(2)23(22-13)15(3)20(25)21-12-19(24)18-9-8-16-6-4-5-7-17(16)11-18/h4-11,15,19,24H,12H2,1-3H3,(H,21,25)
InChIKeyXZELEHCSALRFLC-UHFFFAOYSA-N
XLogP3.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 97068294
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-(dimethylamino)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methylbutanamide
CID 111112176
(2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide
CID 97227615
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide
CID 95618392
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,6-dimethylpyridine-3-carboxamide
CID 56785820
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide
CID 96567828
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-2-naphthalen-2-ylacetic acid
CID 120543564
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 120989475

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide (CID 75381510) is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide is Cc1cc(C)n(C(C)C(=O)NCC(O)c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide?
The InChIKey is XZELEHCSALRFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-10-14(2)23(22-13)15(3)20(25)21-12-19(24)18-9-8-16-6-4-5-7-17(16)11-18/h4-11,15,19,24H,12H2,1-3H3,(H,21,25).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.06, 5 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-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide is sourced from PubChem (CID 75381510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).