2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide

C23H28FN3O — CID 129419034

IUPAC2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
SMILESCc1nn(-c2ccccc2F)c(C)c1CC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C23H28FN3O/c1-13-18(14(2)27(26-13)22-9-4-3-8-20(22)24)12-23(28)25-21-11-15-10-19(21)17-7-5-6-16(15)17/h3-4,8-9,15-17,19,21H,5-7,10-12H2,1-2H3,(H,25,28)/t15-,16-,17+,19+,21-/m1/s1
InChIKeyRMCAGPMISDBGBY-GOBLKYCHSA-N
MW381.50 g/mol
LogP4.11
Rot. Bonds4

About 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide

2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide (PubChem CID 129419034) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
PubChem CID129419034
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
SMILESCc1nn(-c2ccccc2F)c(C)c1CC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C23H28FN3O/c1-13-18(14(2)27(26-13)22-9-4-3-8-20(22)24)12-23(28)25-21-11-15-10-19(21)17-7-5-6-16(15)17/h3-4,8-9,15-17,19,21H,5-7,10-12H2,1-2H3,(H,25,28)/t15-,16-,17+,19+,21-/m1/s1
InChIKeyRMCAGPMISDBGBY-GOBLKYCHSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S,2R,6S,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 98365516
2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124794619
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[(2S)-thiolan-2-yl]methyl]acetamide
CID 96539271
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 51120059
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272967
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 52535876
methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 61381036
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylbut-3-ynyl]acetamide
CID 97065618
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124834964
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51955488
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 95191625

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide (CID 129419034) is 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide is Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21.
What is the InChIKey of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The InChIKey is RMCAGPMISDBGBY-GOBLKYCHSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-13-18(14(2)27(26-13)22-9-4-3-8-20(22)24)12-23(28)25-21-11-15-10-19(21)17-7-5-6-16(15)17/h3-4,8-9,15-17,19,21H,5-7,10-12H2,1-2H3,(H,25,28)/t15-,16-,17+,19+,21-/m1/s1.
What are the key properties of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide is sourced from PubChem (CID 129419034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).