2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

C23H27N3O — CID 9155603

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1ccc(C)cc1
InChIInChI=1S/C23H27N3O/c1-5-22(19-13-11-16(2)12-14-19)24-23(27)15-21-17(3)25-26(18(21)4)20-9-7-6-8-10-20/h6-14,22H,5,15H2,1-4H3,(H,24,27)/t22-/m1/s1
InChIKeyKDEFHTMPZLFPMB-JOCHJYFZSA-N
MW361.49 g/mol
LogP4.61
Rot. Bonds6

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 9155603) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
PubChem CID9155603
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1ccc(C)cc1
InChIInChI=1S/C23H27N3O/c1-5-22(19-13-11-16(2)12-14-19)24-23(27)15-21-17(3)25-26(18(21)4)20-9-7-6-8-10-20/h6-14,22H,5,15H2,1-4H3,(H,24,27)/t22-/m1/s1
InChIKeyKDEFHTMPZLFPMB-JOCHJYFZSA-N
XLogP4.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 75381923
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599157
(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide
CID 9470539
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18200432
N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477580
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide
CID 124848562
N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295081
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19525503
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 9226832
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (CID 9155603) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is CC[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1ccc(C)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is KDEFHTMPZLFPMB-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O/c1-5-22(19-13-11-16(2)12-14-19)24-23(27)15-21-17(3)25-26(18(21)4)20-9-7-6-8-10-20/h6-14,22H,5,15H2,1-4H3,(H,24,27)/t22-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 9155603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).