(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide

C19H19N3O2 — CID 30804831

IUPAC(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-15(24-17-10-6-3-7-11-17)19(23)21-18-12-13-20-22(18)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyMRHKCWBZTXFEBH-HNNXBMFYSA-N
MW321.38 g/mol
LogP3.34
Rot. Bonds6

About (2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide

(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide (PubChem CID 30804831) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
PubChem CID30804831
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-15(24-17-10-6-3-7-11-17)19(23)21-18-12-13-20-22(18)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyMRHKCWBZTXFEBH-HNNXBMFYSA-N
XLogP3.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 45155186
(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 35576672
2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 51064444
(2R)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 26725935
(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579924
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 31976291
N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide
CID 45155158
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579932
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461
(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
CID 39834957
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide
CID 45154155
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35673332

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide?
The IUPAC name of (2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide (CID 30804831) is (2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of (2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide?
The InChIKey is MRHKCWBZTXFEBH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-15(24-17-10-6-3-7-11-17)19(23)21-18-12-13-20-22(18)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide?
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide has a molecular weight of 321.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide is sourced from PubChem (CID 30804831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).