N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H25N3O2 — CID 71941250

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)NCCC1CC2CCC1C2
InChIInChI=1S/C17H25N3O2/c1-10-15(11(2)20(3)19-10)16(21)17(22)18-7-6-14-9-12-4-5-13(14)8-12/h12-14H,4-9H2,1-3H3,(H,18,22)
InChIKeyMQPJSPSZOQSCLQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 71941250) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID71941250
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)NCCC1CC2CCC1C2
InChIInChI=1S/C17H25N3O2/c1-10-15(11(2)20(3)19-10)16(21)17(22)18-7-6-14-9-12-4-5-13(14)8-12/h12-14H,4-9H2,1-3H3,(H,18,22)
InChIKeyMQPJSPSZOQSCLQ-UHFFFAOYSA-N
XLogP2.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide
CID 11937405
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 98288782
[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate
CID 98785634
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111115374
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735957
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66123047
2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110908359
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71941249
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105167837
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575386
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119735938
5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685339

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 71941250) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1C(=O)C(=O)NCCC1CC2CCC1C2.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is MQPJSPSZOQSCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-10-15(11(2)20(3)19-10)16(21)17(22)18-7-6-14-9-12-4-5-13(14)8-12/h12-14H,4-9H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 71941250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).