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

C14H21N3O — CID 19292382

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCn1cc(CNC(=O)CC2CC3CCC2C3)cn1
InChIInChI=1S/C14H21N3O/c1-17-9-11(8-16-17)7-15-14(18)6-13-5-10-2-3-12(13)4-10/h8-10,12-13H,2-7H2,1H3,(H,15,18)
InChIKeyAWYZNCMDKOQPBU-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.86
Rot. Bonds4

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

2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 19292382) 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-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID19292382
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCn1cc(CNC(=O)CC2CC3CCC2C3)cn1
InChIInChI=1S/C14H21N3O/c1-17-9-11(8-16-17)7-15-14(18)6-13-5-10-2-3-12(13)4-10/h8-10,12-13H,2-7H2,1H3,(H,15,18)
InChIKeyAWYZNCMDKOQPBU-UHFFFAOYSA-N
XLogP1.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 18556191
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide
CID 19296798
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 11938740
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544787
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 11929369
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 114965405
2-(2-bicyclo[2.2.1]heptanyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
CID 134027755
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
CID 75680041
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 60971610
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide
CID 79499674

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 19292382) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is Cn1cc(CNC(=O)CC2CC3CCC2C3)cn1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is AWYZNCMDKOQPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17-9-11(8-16-17)7-15-14(18)6-13-5-10-2-3-12(13)4-10/h8-10,12-13H,2-7H2,1H3,(H,15,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.86, 4 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-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19292382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).