2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride

C19H23Cl3N4O — CID 119696680

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H22Cl2N4O.ClH/c20-16-2-1-3-17(21)15(16)11-25-18(6-7-22-25)24-19(26)10-12-8-13-4-5-14(9-12)23-13;/h1-3,6-7,12-14,23H,4-5,8-11H2,(H,24,26);1H
InChIKeyQAROHOXNRGEALC-UHFFFAOYSA-N
MW429.78 g/mol
LogP4.52
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride (PubChem CID 119696680) has the molecular formula C19H23Cl3N4O and a molecular weight of 429.78 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride
PubChem CID119696680
Molecular FormulaC19H23Cl3N4O
Molecular Weight429.78 g/mol
Exact Mass428.09
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H22Cl2N4O.ClH/c20-16-2-1-3-17(21)15(16)11-25-18(6-7-22-25)24-19(26)10-12-8-13-4-5-14(9-12)23-13;/h1-3,6-7,12-14,23H,4-5,8-11H2,(H,24,26);1H
InChIKeyQAROHOXNRGEALC-UHFFFAOYSA-N
XLogP4.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.78
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride (CID 119696680) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccnn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride?
The InChIKey is QAROHOXNRGEALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O.ClH/c20-16-2-1-3-17(21)15(16)11-25-18(6-7-22-25)24-19(26)10-12-8-13-4-5-14(9-12)23-13;/h1-3,6-7,12-14,23H,4-5,8-11H2,(H,24,26);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride has a molecular weight of 429.78 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119696680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).