2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide

C15H22ClN3O — CID 19296798

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide
SMILESCCn1ncc(Cl)c1CNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C15H22ClN3O/c1-2-19-14(13(16)8-18-19)9-17-15(20)7-12-6-10-3-4-11(12)5-10/h8,10-12H,2-7,9H2,1H3,(H,17,20)
InChIKeyIVTCYDSQVRWENA-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.00
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide (PubChem CID 19296798) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide
PubChem CID19296798
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide
SMILESCCn1ncc(Cl)c1CNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C15H22ClN3O/c1-2-19-14(13(16)8-18-19)9-17-15(20)7-12-6-10-3-4-11(12)5-10/h8,10-12H,2-7,9H2,1H3,(H,17,20)
InChIKeyIVTCYDSQVRWENA-UHFFFAOYSA-N
XLogP3.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19292382
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19467157
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide
CID 19296920
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 11938740
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11935022
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-1-ethylpyrazole-5-carboxamide
CID 98330564
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 18556191
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296799

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide (CID 19296798) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide is CCn1ncc(Cl)c1CNC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide?
The InChIKey is IVTCYDSQVRWENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-19-14(13(16)8-18-19)9-17-15(20)7-12-6-10-3-4-11(12)5-10/h8,10-12H,2-7,9H2,1H3,(H,17,20).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide has a molecular weight of 295.81 g/mol, XLogP of 3.00, 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-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 19296798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).