2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide

C21H24N4O2 — CID 139886361

IUPAC2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(CCNC[C@H](O)c2ccccc2)cn1)Nc1ccccc1
InChIInChI=1S/C21H24N4O2/c26-20(18-7-3-1-4-8-18)14-22-12-11-17-13-23-25(15-17)16-21(27)24-19-9-5-2-6-10-19/h1-10,13,15,20,22,26H,11-12,14,16H2,(H,24,27)/t20-/m0/s1
InChIKeyIFNCWOBRKCEQIM-FQEVSTJZSA-N
MW364.45 g/mol
LogP2.39
Rot. Bonds9

About 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide

2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide (PubChem CID 139886361) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide
PubChem CID139886361
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(CCNC[C@H](O)c2ccccc2)cn1)Nc1ccccc1
InChIInChI=1S/C21H24N4O2/c26-20(18-7-3-1-4-8-18)14-22-12-11-17-13-23-25(15-17)16-21(27)24-19-9-5-2-6-10-19/h1-10,13,15,20,22,26H,11-12,14,16H2,(H,24,27)/t20-/m0/s1
InChIKeyIFNCWOBRKCEQIM-FQEVSTJZSA-N
XLogP2.39
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzyl-1,2,4-triazol-3-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 18319715
4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide
CID 139886411
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide;hydrochloride
CID 46192969
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-(2-methylprop-1-enyl)imidazol-2-yl]-N-phenylacetamide;dihydrochloride
CID 139886418
2-(2-formamido-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 118884026
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride
CID 18319731
2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide;dihydrochloride
CID 18319828
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46192825
2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
CID 125418925
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 140665357
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-[(3,4,5-trifluorophenyl)methyl]imidazol-2-yl]-N-phenylacetamide;dihydrochloride
CID 139886380
2-(2-acetamido-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 18319845

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide (CID 139886361) is 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide is O=C(Cn1cc(CCNC[C@H](O)c2ccccc2)cn1)Nc1ccccc1.
What is the InChIKey of 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide?
The InChIKey is IFNCWOBRKCEQIM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(18-7-3-1-4-8-18)14-22-12-11-17-13-23-25(15-17)16-21(27)24-19-9-5-2-6-10-19/h1-10,13,15,20,22,26H,11-12,14,16H2,(H,24,27)/t20-/m0/s1.
What are the key properties of 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide?
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide has a molecular weight of 364.45 g/mol, XLogP of 2.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 139886361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).