N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C21H31N3O — CID 94815263

IUPACN-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@@H](C)CC(C)(C)c1ccccc1
InChIInChI=1S/C21H31N3O/c1-15(14-21(4,5)18-10-8-7-9-11-18)22-20(25)13-12-19-16(2)23-24(6)17(19)3/h7-11,15H,12-14H2,1-6H3,(H,22,25)/t15-/m0/s1
InChIKeyJGEIUOCYFKSEQQ-HNNXBMFYSA-N
MW341.50 g/mol
LogP3.84
Rot. Bonds7

About N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 94815263) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID94815263
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@@H](C)CC(C)(C)c1ccccc1
InChIInChI=1S/C21H31N3O/c1-15(14-21(4,5)18-10-8-7-9-11-18)22-20(25)13-12-19-16(2)23-24(6)17(19)3/h7-11,15H,12-14H2,1-6H3,(H,22,25)/t15-/m0/s1
InChIKeyJGEIUOCYFKSEQQ-HNNXBMFYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
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N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131933821
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide
CID 52511202
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide
CID 125440966
N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134035164
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
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3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 43353725
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
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N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 94815263) is N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)CC(C)(C)c1ccccc1.
What is the InChIKey of N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is JGEIUOCYFKSEQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-15(14-21(4,5)18-10-8-7-9-11-18)22-20(25)13-12-19-16(2)23-24(6)17(19)3/h7-11,15H,12-14H2,1-6H3,(H,22,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 341.50 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 94815263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).