N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

C21H27N3O — CID 19335808

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C21H27N3O/c1-14-21(15(2)24(23-14)13-16-6-4-3-5-7-16)22-20(25)12-19-11-17-8-9-18(19)10-17/h3-7,17-19H,8-13H2,1-2H3,(H,22,25)
InChIKeyWNBMHDUEQGZZFD-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.31
Rot. Bonds5

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 19335808) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID19335808
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C21H27N3O/c1-14-21(15(2)24(23-14)13-16-6-4-3-5-7-16)22-20(25)12-19-11-17-8-9-18(19)10-17/h3-7,17-19H,8-13H2,1-2H3,(H,22,25)
InChIKeyWNBMHDUEQGZZFD-UHFFFAOYSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19408171
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11935022
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556649
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 127254725
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19400939
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 19337840
2-(2-bicyclo[2.2.1]heptanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 4815541
(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 35278282
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 51146705
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 11913397

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 19335808) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CC1CC2CCC1C2.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is WNBMHDUEQGZZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-14-21(15(2)24(23-14)13-16-6-4-3-5-7-16)22-20(25)12-19-11-17-8-9-18(19)10-17/h3-7,17-19H,8-13H2,1-2H3,(H,22,25).
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 337.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 19335808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).