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

C23H27N3O — CID 24663985

IUPACN-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-17-22(18(2)26(3)25-17)16-23(27)24-15-14-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21H,14-16H2,1-3H3,(H,24,27)
InChIKeyHMQGUMKHNUKJRU-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.92
Rot. Bonds7

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

N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 24663985) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID24663985
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-17-22(18(2)26(3)25-17)16-23(27)24-15-14-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21H,14-16H2,1-3H3,(H,24,27)
InChIKeyHMQGUMKHNUKJRU-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51103832
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
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
3-amino-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119950099
N-[(2R)-2-(N-methylanilino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51728407
1-(3,3-diphenylpropyl)-3-ethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111782932
N-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 38231081
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41444293
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 132970684
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide
CID 2563974

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 24663985) is N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is HMQGUMKHNUKJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-22(18(2)26(3)25-17)16-23(27)24-15-14-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21H,14-16H2,1-3H3,(H,24,27).
What are the key properties of N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 361.49 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 24663985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).