N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide

C15H19N3O — CID 92707865

IUPACN-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
SMILESC[C@H](CNC(=O)CCn1cccn1)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-13(14-6-3-2-4-7-14)12-16-15(19)8-11-18-10-5-9-17-18/h2-7,9-10,13H,8,11-12H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyCOFQPSUPZRTYQA-CYBMUJFWSA-N
MW257.34 g/mol
LogP2.19
Rot. Bonds6

About N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide

N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide (PubChem CID 92707865) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
PubChem CID92707865
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
SMILESC[C@H](CNC(=O)CCn1cccn1)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-13(14-6-3-2-4-7-14)12-16-15(19)8-11-18-10-5-9-17-18/h2-7,9-10,13H,8,11-12H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyCOFQPSUPZRTYQA-CYBMUJFWSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide
CID 97227838
N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
CID 97089030
(3S)-5-methyl-3-[(3-pyrazol-1-ylpropanoylamino)methyl]hexanoic acid
CID 65493688
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 97227808
N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide
CID 47268516
N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide
CID 43501203
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 29225382
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 8912251

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide (CID 92707865) is N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide is C[C@H](CNC(=O)CCn1cccn1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is COFQPSUPZRTYQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O/c1-13(14-6-3-2-4-7-14)12-16-15(19)8-11-18-10-5-9-17-18/h2-7,9-10,13H,8,11-12H2,1H3,(H,16,19)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide?
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 257.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 92707865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).