2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide

C13H19N3O — CID 100573764

IUPAC2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C13H19N3O/c1-8-7-14-16-13(8)15-12(17)6-11-5-9-2-3-10(11)4-9/h7,9-11H,2-6H2,1H3,(H2,14,15,16,17)/t9-,10-,11-/m0/s1
InChIKeyUDEXYRKXEAROCY-DCAQKATOSA-N
MW233.31 g/mol
LogP2.48
Rot. Bonds3

About 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide (PubChem CID 100573764) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
PubChem CID100573764
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C13H19N3O/c1-8-7-14-16-13(8)15-12(17)6-11-5-9-2-3-10(11)4-9/h7,9-11H,2-6H2,1H3,(H2,14,15,16,17)/t9-,10-,11-/m0/s1
InChIKeyUDEXYRKXEAROCY-DCAQKATOSA-N
XLogP2.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide with MolForge

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Related Compounds

2-cyclopropyl-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629912
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 11914356
2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 112687351
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-methyl-2-pyridinyl)acetamide
CID 51188825
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774533
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 18107024
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 11914594
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6599122

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide (CID 100573764) is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide is Cc1cn[nH]c1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The InChIKey is UDEXYRKXEAROCY-DCAQKATOSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-7-14-16-13(8)15-12(17)6-11-5-9-2-3-10(11)4-9/h7,9-11H,2-6H2,1H3,(H2,14,15,16,17)/t9-,10-,11-/m0/s1.
What are the key properties of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 100573764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).