2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

C14H21N3O — CID 112687351

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)CC2CC3CCC2C3)c1C
InChIInChI=1S/C14H21N3O/c1-8-9(2)16-17-14(8)15-13(18)7-12-6-10-3-4-11(12)5-10/h10-12H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyOWXWNIKWETUFIV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.79
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 112687351) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
PubChem CID112687351
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)CC2CC3CCC2C3)c1C
InChIInChI=1S/C14H21N3O/c1-8-9(2)16-17-14(8)15-13(18)7-12-6-10-3-4-11(12)5-10/h10-12H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyOWXWNIKWETUFIV-UHFFFAOYSA-N
XLogP2.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 100573764
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 18107024
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619904
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
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-[(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-(5-methyl-2-pyridinyl)acetamide
CID 51188825
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104617747
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (CID 112687351) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is Cc1[nH]nc(NC(=O)CC2CC3CCC2C3)c1C.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is OWXWNIKWETUFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-8-9(2)16-17-14(8)15-13(18)7-12-6-10-3-4-11(12)5-10/h10-12H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 112687351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).