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

C19H22ClN3O — CID 19397715

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O/c20-18-4-2-1-3-15(18)11-23-12-17(10-21-23)22-19(24)9-16-8-13-5-6-14(16)7-13/h1-4,10,12-14,16H,5-9,11H2,(H,22,24)
InChIKeyWUUJSGFMQHURKT-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.35
Rot. Bonds5

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

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide (PubChem CID 19397715) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
PubChem CID19397715
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O/c20-18-4-2-1-3-15(18)11-23-12-17(10-21-23)22-19(24)9-16-8-13-5-6-14(16)7-13/h1-4,10,12-14,16H,5-9,11H2,(H,22,24)
InChIKeyWUUJSGFMQHURKT-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 19338493
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 126418195
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19407074
2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19397606
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 11915186
N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide
CID 138048170
1-[3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483009
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
CID 7923830
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide (CID 19397715) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide is O=C(CC1CC2CCC1C2)Nc1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide?
The InChIKey is WUUJSGFMQHURKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-18-4-2-1-3-15(18)11-23-12-17(10-21-23)22-19(24)9-16-8-13-5-6-14(16)7-13/h1-4,10,12-14,16H,5-9,11H2,(H,22,24).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 343.86 g/mol, XLogP of 4.35, 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-chlorophenyl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 19397715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).