2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide

C17H27N3O — CID 19467157

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
SMILESCCn1ncc(C(C)NC(=O)CC2CC3CCC2C3)c1C
InChIInChI=1S/C17H27N3O/c1-4-20-12(3)16(10-18-20)11(2)19-17(21)9-15-8-13-5-6-14(15)7-13/h10-11,13-15H,4-9H2,1-3H3,(H,19,21)
InChIKeyDZIAGAZFUJXXJF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 19467157) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID19467157
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
SMILESCCn1ncc(C(C)NC(=O)CC2CC3CCC2C3)c1C
InChIInChI=1S/C17H27N3O/c1-4-20-12(3)16(10-18-20)11(2)19-17(21)9-15-8-13-5-6-14(15)7-13/h10-11,13-15H,4-9H2,1-3H3,(H,19,21)
InChIKeyDZIAGAZFUJXXJF-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 55576995
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide
CID 19296798
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51187782
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 42905846
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide
CID 114305540
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 64545243
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19530300
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 98614205
1-butyl-3-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]urea
CID 17267001
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19292382

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide (CID 19467157) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide is CCn1ncc(C(C)NC(=O)CC2CC3CCC2C3)c1C.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is DZIAGAZFUJXXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20-12(3)16(10-18-20)11(2)19-17(21)9-15-8-13-5-6-14(15)7-13/h10-11,13-15H,4-9H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 3.21, 5 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-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 19467157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).