2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide

C19H21Cl2N3O — CID 19407074

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1ccn(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H21Cl2N3O/c20-16-2-1-3-17(21)15(16)11-24-7-6-18(23-24)22-19(25)10-14-9-12-4-5-13(14)8-12/h1-3,6-7,12-14H,4-5,8-11H2,(H,22,23,25)
InChIKeyLAPXZXUXUZULMO-UHFFFAOYSA-N
MW378.30 g/mol
LogP5.00
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19407074) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19407074
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1ccn(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H21Cl2N3O/c20-16-2-1-3-17(21)15(16)11-24-7-6-18(23-24)22-19(25)10-14-9-12-4-5-13(14)8-12/h1-3,6-7,12-14H,4-5,8-11H2,(H,22,23,25)
InChIKeyLAPXZXUXUZULMO-UHFFFAOYSA-N
XLogP5.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19400939
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19584381
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-oxopropanamide
CID 19407145
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19397715
2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide
CID 113456876
(2R)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]oxolane-2-carboxamide
CID 35274234
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide
CID 11934836
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 1247534
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19526870
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19525282
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 19335808

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide (CID 19407074) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(CC1CC2CCC1C2)Nc1ccn(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is LAPXZXUXUZULMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-16-2-1-3-17(21)15(16)11-24-7-6-18(23-24)22-19(25)10-14-9-12-4-5-13(14)8-12/h1-3,6-7,12-14H,4-5,8-11H2,(H,22,23,25).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 378.30 g/mol, XLogP of 5.00, 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-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19407074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).