2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide

C20H25FN4O — CID 119731535

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CC3CC4CCC(C3)N4)cc2F)n1
InChIInChI=1S/C20H25FN4O/c1-12-7-13(2)25(24-12)19-6-5-17(11-18(19)21)23-20(26)10-14-8-15-3-4-16(9-14)22-15/h5-7,11,14-16,22H,3-4,8-10H2,1-2H3,(H,23,26)
InChIKeyVRQBVUFLMKKVOC-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.49
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide (PubChem CID 119731535) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
PubChem CID119731535
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CC3CC4CCC(C3)N4)cc2F)n1
InChIInChI=1S/C20H25FN4O/c1-12-7-13(2)25(24-12)19-6-5-17(11-18(19)21)23-20(26)10-14-8-15-3-4-16(9-14)22-15/h5-7,11,14-16,22H,3-4,8-10H2,1-2H3,(H,23,26)
InChIKeyVRQBVUFLMKKVOC-UHFFFAOYSA-N
XLogP3.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]acetamide
CID 119796616
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
CID 119680128
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
CID 119459600
N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119702837
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731520
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119731550
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-methyl-4-oxocyclohexane-1-carboxamide
CID 127691444
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide;hydrochloride
CID 119708006
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 119697637
1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea
CID 110896865

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide (CID 119731535) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide is Cc1cc(C)n(-c2ccc(NC(=O)CC3CC4CCC(C3)N4)cc2F)n1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide?
The InChIKey is VRQBVUFLMKKVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-12-7-13(2)25(24-12)19-6-5-17(11-18(19)21)23-20(26)10-14-8-15-3-4-16(9-14)22-15/h5-7,11,14-16,22H,3-4,8-10H2,1-2H3,(H,23,26).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide has a molecular weight of 356.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide is sourced from PubChem (CID 119731535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).