2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide

C21H26FN3O — CID 19408171

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C21H26FN3O/c1-13-21(23-20(26)11-18-10-15-7-8-16(18)9-15)14(2)25(24-13)12-17-5-3-4-6-19(17)22/h3-6,15-16,18H,7-12H2,1-2H3,(H,23,26)
InChIKeyXDDLIAMFFZTOJC-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.45
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 19408171) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID19408171
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C21H26FN3O/c1-13-21(23-20(26)11-18-10-15-7-8-16(18)9-15)14(2)25(24-13)12-17-5-3-4-6-19(17)22/h3-6,15-16,18H,7-12H2,1-2H3,(H,23,26)
InChIKeyXDDLIAMFFZTOJC-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 19335808
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 21174603
1-cyclohexyl-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17383040
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555850
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11935022
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19408251
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19530270
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide
CID 19408274
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19523127
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide
CID 11937405
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
CID 7923830
1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide
CID 19408250

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide (CID 19408171) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is XDDLIAMFFZTOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-13-21(23-20(26)11-18-10-15-7-8-16(18)9-15)14(2)25(24-13)12-17-5-3-4-6-19(17)22/h3-6,15-16,18H,7-12H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 19408171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).