2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide

C14H21N3O — CID 51114234

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)CC2CC3CCC2C3)cn1
InChIInChI=1S/C14H21N3O/c1-2-17-9-13(8-15-17)16-14(18)7-12-6-10-3-4-11(12)5-10/h8-12H,2-7H2,1H3,(H,16,18)
InChIKeyMZQZDYOEBFMIPH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide (PubChem CID 51114234) 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-(1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide
PubChem CID51114234
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)CC2CC3CCC2C3)cn1
InChIInChI=1S/C14H21N3O/c1-2-17-9-13(8-15-17)16-14(18)7-12-6-10-3-4-11(12)5-10/h8-12H,2-7H2,1H3,(H,16,18)
InChIKeyMZQZDYOEBFMIPH-UHFFFAOYSA-N
XLogP2.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide (CID 51114234) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide is CCn1cc(NC(=O)CC2CC3CCC2C3)cn1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide?
The InChIKey is MZQZDYOEBFMIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-17-9-13(8-15-17)16-14(18)7-12-6-10-3-4-11(12)5-10/h8-12H,2-7H2,1H3,(H,16,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.67, 4 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-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 51114234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).