N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

C21H23N3O — CID 26288105

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H23N3O/c1-3-16(2)18-9-11-19(12-10-18)23-21(25)13-17-14-22-24(15-17)20-7-5-4-6-8-20/h4-12,14-16H,3,13H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyRCTXZUFDNCHXFZ-INIZCTEOSA-N
MW333.44 g/mol
LogP4.57
Rot. Bonds6

About N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 26288105) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID26288105
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H23N3O/c1-3-16(2)18-9-11-19(12-10-18)23-21(25)13-17-14-22-24(15-17)20-7-5-4-6-8-20/h4-12,14-16H,3,13H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyRCTXZUFDNCHXFZ-INIZCTEOSA-N
XLogP4.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38359488
2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46535527
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 36677114
ethyl 5-methyl-1-[4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]pyrazole-4-carboxylate
CID 43072027
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32934582
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 46514677

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 26288105) is N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is CC[C@H](C)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is RCTXZUFDNCHXFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-16(2)18-9-11-19(12-10-18)23-21(25)13-17-14-22-24(15-17)20-7-5-4-6-8-20/h4-12,14-16H,3,13H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 26288105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).