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

C12H17N3O — CID 43429525

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1cn[nH]c1
InChIInChI=1S/C12H17N3O/c16-12(15-11-6-13-14-7-11)5-10-4-8-1-2-9(10)3-8/h6-10H,1-5H2,(H,13,14)(H,15,16)
InChIKeyQMKZLKUPKKDFJG-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.17
Rot. Bonds3

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

2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43429525) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43429525
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1cn[nH]c1
InChIInChI=1S/C12H17N3O/c16-12(15-11-6-13-14-7-11)5-10-4-8-1-2-9(10)3-8/h6-10H,1-5H2,(H,13,14)(H,15,16)
InChIKeyQMKZLKUPKKDFJG-UHFFFAOYSA-N
XLogP2.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide (CID 43429525) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide is O=C(CC1CC2CCC1C2)Nc1cn[nH]c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is QMKZLKUPKKDFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(15-11-6-13-14-7-11)5-10-4-8-1-2-9(10)3-8/h6-10H,1-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 219.29 g/mol, XLogP of 2.17, 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-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43429525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).