2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide

C20H25N5O — CID 97149895

IUPAC2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
SMILESCCc1nccn1CC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C
InChIInChI=1S/C20H25N5O/c1-5-19-21-10-11-24(19)13-20(26)23-15(3)17-12-22-25(16(17)4)18-9-7-6-8-14(18)2/h6-12,15H,5,13H2,1-4H3,(H,23,26)/t15-/m0/s1
InChIKeyDNYSAUIKMMSLDW-HNNXBMFYSA-N
MW351.45 g/mol
LogP3.13
Rot. Bonds6

About 2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide

2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide (PubChem CID 97149895) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
PubChem CID97149895
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
SMILESCCc1nccn1CC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C
InChIInChI=1S/C20H25N5O/c1-5-19-21-10-11-24(19)13-20(26)23-15(3)17-12-22-25(16(17)4)18-9-7-6-8-14(18)2/h6-12,15H,5,13H2,1-4H3,(H,23,26)/t15-/m0/s1
InChIKeyDNYSAUIKMMSLDW-HNNXBMFYSA-N
XLogP3.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97140542
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
CID 26332266
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide
CID 25280345
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 72858375
N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45176025
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97128887
2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 72852508
ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate
CID 42194625
1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 42591847
1-ethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 45191349
2-amino-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 97119383
1,3-dimethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2,6-dioxopyrimidine-4-carboxamide
CID 45223694

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide (CID 97149895) is 2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide is CCc1nccn1CC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide?
The InChIKey is DNYSAUIKMMSLDW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-5-19-21-10-11-24(19)13-20(26)23-15(3)17-12-22-25(16(17)4)18-9-7-6-8-14(18)2/h6-12,15H,5,13H2,1-4H3,(H,23,26)/t15-/m0/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide?
2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 97149895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).