2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

C20H25N3O — CID 19400939

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1cccc(Cn2ccc(NC(=O)CC3CC4CCC3C4)n2)c1
InChIInChI=1S/C20H25N3O/c1-14-3-2-4-16(9-14)13-23-8-7-19(22-23)21-20(24)12-18-11-15-5-6-17(18)10-15/h2-4,7-9,15,17-18H,5-6,10-13H2,1H3,(H,21,22,24)
InChIKeyPRUCBUVQLKHZHS-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.00
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19400939) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19400939
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1cccc(Cn2ccc(NC(=O)CC3CC4CCC3C4)n2)c1
InChIInChI=1S/C20H25N3O/c1-14-3-2-4-16(9-14)13-23-8-7-19(22-23)21-20(24)12-18-11-15-5-6-17(18)10-15/h2-4,7-9,15,17-18H,5-6,10-13H2,1H3,(H,21,22,24)
InChIKeyPRUCBUVQLKHZHS-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19407074
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 19335808
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-methyl-2-pyridinyl)acetamide
CID 51188825
N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530899
1,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19279717
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 11938722
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 43601980
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
CID 75680041
2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide
CID 113456876

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (CID 19400939) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is Cc1cccc(Cn2ccc(NC(=O)CC3CC4CCC3C4)n2)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is PRUCBUVQLKHZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-3-2-4-16(9-14)13-23-8-7-19(22-23)21-20(24)12-18-11-15-5-6-17(18)10-15/h2-4,7-9,15,17-18H,5-6,10-13H2,1H3,(H,21,22,24).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 4.00, 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-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19400939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).