(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide

C17H23N3O2 — CID 124744485

IUPAC(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide
SMILESCCCCCc1ccc(NC(=O)[C@H](O)c2cnn(C)c2)cc1
InChIInChI=1S/C17H23N3O2/c1-3-4-5-6-13-7-9-15(10-8-13)19-17(22)16(21)14-11-18-20(2)12-14/h7-12,16,21H,3-6H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyZYUASOADLPWSHK-MRXNPFEDSA-N
MW301.39 g/mol
LogP2.82
Rot. Bonds7

About (2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide

(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide (PubChem CID 124744485) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide
PubChem CID124744485
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide
SMILESCCCCCc1ccc(NC(=O)[C@H](O)c2cnn(C)c2)cc1
InChIInChI=1S/C17H23N3O2/c1-3-4-5-6-13-7-9-15(10-8-13)19-17(22)16(21)14-11-18-20(2)12-14/h7-12,16,21H,3-6H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyZYUASOADLPWSHK-MRXNPFEDSA-N
XLogP2.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-butylphenyl)-2-cyano-3-(1-methylpyrazol-4-yl)-3-oxopropanamide
CID 98423665
2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide
CID 166389492
(3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 70668692
(2S,3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 45483299
3-amino-2-methyl-N-(4-pentylphenyl)propanamide
CID 62670377
2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
CID 139359487
2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289709
(2R)-N-(4-butylphenyl)-2-methoxy-2-phenylacetamide
CID 2207661
(2R)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45254608
2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45483181
2-bromo-N-(4-butylphenyl)butanamide
CID 63463837
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide?
The IUPAC name of (2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide (CID 124744485) is (2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide.
What is the SMILES notation for (2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide?
The canonical SMILES for (2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide is CCCCCc1ccc(NC(=O)[C@H](O)c2cnn(C)c2)cc1.
What is the InChIKey of (2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide?
The InChIKey is ZYUASOADLPWSHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-4-5-6-13-7-9-15(10-8-13)19-17(22)16(21)14-11-18-20(2)12-14/h7-12,16,21H,3-6H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide?
(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-(4-pentylphenyl)acetamide is sourced from PubChem (CID 124744485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).