(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide

C16H21N3O2 — CID 29183103

IUPAC(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide
SMILESCc1c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)cnn1C
InChIInChI=1S/C16H21N3O2/c1-11(15-10-17-19(4)12(15)2)18-16(20)13(3)21-14-8-6-5-7-9-14/h5-11,13H,1-4H3,(H,18,20)/t11-,13+/m1/s1
InChIKeyTYCSOKCHKPDWFT-YPMHNXCESA-N
MW287.36 g/mol
LogP2.37
Rot. Bonds5

About (2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide

(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide (PubChem CID 29183103) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide
PubChem CID29183103
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide
SMILESCc1c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)cnn1C
InChIInChI=1S/C16H21N3O2/c1-11(15-10-17-19(4)12(15)2)18-16(20)13(3)21-14-8-6-5-7-9-14/h5-11,13H,1-4H3,(H,18,20)/t11-,13+/m1/s1
InChIKeyTYCSOKCHKPDWFT-YPMHNXCESA-N
XLogP2.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119293154
2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 133220210
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
CID 43696292
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-nitrophenyl)acetamide
CID 2225443
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide
CID 104683752
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide (CID 29183103) is (2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide is Cc1c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)cnn1C.
What is the InChIKey of (2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide?
The InChIKey is TYCSOKCHKPDWFT-YPMHNXCESA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(15-10-17-19(4)12(15)2)18-16(20)13(3)21-14-8-6-5-7-9-14/h5-11,13H,1-4H3,(H,18,20)/t11-,13+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide?
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 29183103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).