(2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide

C15H19N3O2 — CID 96541422

IUPAC(2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](CNC(=O)[C@H](C)n1cccn1)Oc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-12(20-14-7-4-3-5-8-14)11-16-15(19)13(2)18-10-6-9-17-18/h3-10,12-13H,11H2,1-2H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyGSINUPYRLSYMRM-STQMWFEESA-N
MW273.34 g/mol
LogP2.03
Rot. Bonds6

About (2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide

(2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide (PubChem CID 96541422) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide
PubChem CID96541422
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](CNC(=O)[C@H](C)n1cccn1)Oc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-12(20-14-7-4-3-5-8-14)11-16-15(19)13(2)18-10-6-9-17-18/h3-10,12-13H,11H2,1-2H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyGSINUPYRLSYMRM-STQMWFEESA-N
XLogP2.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2R)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide
CID 96541424
2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid
CID 62676010
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
3-methyl-2-[(2-pyrazol-1-ylpropanoylamino)methyl]butanoic acid
CID 65220604
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945
4,4-dimethyl-2-[(2-pyrazol-1-ylpropanoylamino)methyl]pentanoic acid
CID 107474489
2-[3-[(2-pyrazol-1-ylpropanoylamino)methyl]phenoxy]acetic acid
CID 119246406
(2R)-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-pyrazol-1-ylpropanamide
CID 94036059
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
5-methyl-3-[(2-pyrazol-1-ylpropanoylamino)methyl]hexanoic acid
CID 65493074
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide (CID 96541422) is (2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide is C[C@@H](CNC(=O)[C@H](C)n1cccn1)Oc1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is GSINUPYRLSYMRM-STQMWFEESA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12(20-14-7-4-3-5-8-14)11-16-15(19)13(2)18-10-6-9-17-18/h3-10,12-13H,11H2,1-2H3,(H,16,19)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 96541422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).