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

C17H23N3O — CID 100671479

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide
SMILESCC[C@](C)(NC(=O)Cc1c(C)n[nH]c1C)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-5-17(4,14-9-7-6-8-10-14)18-16(21)11-15-12(2)19-20-13(15)3/h6-10H,5,11H2,1-4H3,(H,18,21)(H,19,20)/t17-/m0/s1
InChIKeyQYQXYRVBDCIXNR-KRWDZBQOSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds5

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide (PubChem CID 100671479) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide
PubChem CID100671479
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide
SMILESCC[C@](C)(NC(=O)Cc1c(C)n[nH]c1C)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-5-17(4,14-9-7-6-8-10-14)18-16(21)11-15-12(2)19-20-13(15)3/h6-10H,5,11H2,1-4H3,(H,18,21)(H,19,20)/t17-/m0/s1
InChIKeyQYQXYRVBDCIXNR-KRWDZBQOSA-N
XLogP3.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide
CID 99825884
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid
CID 43171937
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 99832422
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide
CID 138027211
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
CID 43431213
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 51072997
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
N-[(2,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654750

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide (CID 100671479) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide is CC[C@](C)(NC(=O)Cc1c(C)n[nH]c1C)c1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide?
The InChIKey is QYQXYRVBDCIXNR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-17(4,14-9-7-6-8-10-14)18-16(21)11-15-12(2)19-20-13(15)3/h6-10H,5,11H2,1-4H3,(H,18,21)(H,19,20)/t17-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 100671479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).