N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H25N3O — CID 51103832

IUPACN-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-13(16-8-6-5-7-9-16)10-11-19-18(22)12-17-14(2)20-21(4)15(17)3/h5-9,13H,10-12H2,1-4H3,(H,19,22)
InChIKeyICLPUMVHUPYYDL-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.89
Rot. Bonds6

About N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 51103832) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID51103832
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-13(16-8-6-5-7-9-16)10-11-19-18(22)12-17-14(2)20-21(4)15(17)3/h5-9,13H,10-12H2,1-4H3,(H,19,22)
InChIKeyICLPUMVHUPYYDL-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24663985
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295081
N-[(2R)-2-(N-methylanilino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51728407
3-amino-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119950099
N-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 38231081
N-(4-hydroxy-2-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 66106247
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41444293
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55841246
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 51103832) is N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCCC(C)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is ICLPUMVHUPYYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13(16-8-6-5-7-9-16)10-11-19-18(22)12-17-14(2)20-21(4)15(17)3/h5-9,13H,10-12H2,1-4H3,(H,19,22).
What are the key properties of N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 299.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 51103832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).