2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride

C19H25ClN4O — CID 119739831

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCc1ccccc1-n1cccn1
InChIInChI=1S/C19H24N4O.ClH/c24-19(12-14-10-16-6-7-17(11-14)22-16)20-13-15-4-1-2-5-18(15)23-9-3-8-21-23;/h1-5,8-9,14,16-17,22H,6-7,10-13H2,(H,20,24);1H
InChIKeyOFIGVWMSIBXIRA-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.83
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride (PubChem CID 119739831) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
PubChem CID119739831
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCc1ccccc1-n1cccn1
InChIInChI=1S/C19H24N4O.ClH/c24-19(12-14-10-16-6-7-17(11-14)22-16)20-13-15-4-1-2-5-18(15)23-9-3-8-21-23;/h1-5,8-9,14,16-17,22H,6-7,10-13H2,(H,20,24);1H
InChIKeyOFIGVWMSIBXIRA-UHFFFAOYSA-N
XLogP2.83
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718080
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718343
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119756338
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
CID 119706783
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide
CID 119850358
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119744704
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734227
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119861643

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride (CID 119739831) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCc1ccccc1-n1cccn1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride?
The InChIKey is OFIGVWMSIBXIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c24-19(12-14-10-16-6-7-17(11-14)22-16)20-13-15-4-1-2-5-18(15)23-9-3-8-21-23;/h1-5,8-9,14,16-17,22H,6-7,10-13H2,(H,20,24);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 2.83, 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-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119739831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).