N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C16H21N3O2 — CID 97228090

IUPACN-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-11(9-15(20)13-6-4-3-5-7-13)17-16(21)10-14-8-12(2)18-19-14/h3-8,11,15,20H,9-10H2,1-2H3,(H,17,21)(H,18,19)/t11-,15+/m0/s1
InChIKeyWTDPFWHQFFNGON-XHDPSFHLSA-N
MW287.36 g/mol
LogP1.89
Rot. Bonds6

About N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 97228090) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID97228090
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-11(9-15(20)13-6-4-3-5-7-13)17-16(21)10-14-8-12(2)18-19-14/h3-8,11,15,20H,9-10H2,1-2H3,(H,17,21)(H,18,19)/t11-,15+/m0/s1
InChIKeyWTDPFWHQFFNGON-XHDPSFHLSA-N
XLogP1.89
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 71919972
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide
CID 110027846
4-amino-N-(4-hydroxy-4-phenylbutan-2-yl)butanamide
CID 119337613
N-[2-(methylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 120827526
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
CID 56890511
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97222976
1-[(3S)-3-hydroxy-3-phenylpropyl]-1-methyl-3-[(5-methyl-1H-pyrazol-3-yl)methyl]urea
CID 126439318
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide
CID 154750232
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 97071411
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 119609111
N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide
CID 109478424
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72837726

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 97228090) is N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(CC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is WTDPFWHQFFNGON-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(9-15(20)13-6-4-3-5-7-13)17-16(21)10-14-8-12(2)18-19-14/h3-8,11,15,20H,9-10H2,1-2H3,(H,17,21)(H,18,19)/t11-,15+/m0/s1.
What are the key properties of N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 97228090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).