2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide

C25H25N3O — CID 46599157

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C25H25N3O/c1-17(21-14-13-20-9-7-8-10-22(20)15-21)26-25(29)16-24-18(2)27-28(19(24)3)23-11-5-4-6-12-23/h4-15,17H,16H2,1-3H3,(H,26,29)
InChIKeyRWVDPNDIPPJYCG-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.06
Rot. Bonds5

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide (PubChem CID 46599157) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
PubChem CID46599157
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C25H25N3O/c1-17(21-14-13-20-9-7-8-10-22(20)15-21)26-25(29)16-24-18(2)27-28(19(24)3)23-11-5-4-6-12-23/h4-15,17H,16H2,1-3H3,(H,26,29)
InChIKeyRWVDPNDIPPJYCG-UHFFFAOYSA-N
XLogP5.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18200432
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 134012980
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 17483850
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 75381923
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9478159
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9155603
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 9226832
(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide
CID 9470539
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide
CID 124848562
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 92613512
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 9033059

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide (CID 46599157) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
The InChIKey is RWVDPNDIPPJYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-17(21-14-13-20-9-7-8-10-22(20)15-21)26-25(29)16-24-18(2)27-28(19(24)3)23-11-5-4-6-12-23/h4-15,17H,16H2,1-3H3,(H,26,29).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide has a molecular weight of 383.50 g/mol, XLogP of 5.06, 5 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-(1-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 46599157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).