2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide

C14H21N3O — CID 19346143

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H21N3O/c1-9-13(8-17(2)16-9)15-14(18)7-12-6-10-3-4-11(12)5-10/h8,10-12H,3-7H2,1-2H3,(H,15,18)
InChIKeyRFGHMUHCPNJPPC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide (PubChem CID 19346143) 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-(1,3-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
PubChem CID19346143
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H21N3O/c1-9-13(8-17(2)16-9)15-14(18)7-12-6-10-3-4-11(12)5-10/h8,10-12H,3-7H2,1-2H3,(H,15,18)
InChIKeyRFGHMUHCPNJPPC-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.49
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-(1,3-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide (CID 19346143) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide is Cc1nn(C)cc1NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The InChIKey is RFGHMUHCPNJPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-13(8-17(2)16-9)15-14(18)7-12-6-10-3-4-11(12)5-10/h8,10-12H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.49, 3 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-(1,3-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 19346143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).