N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride

C19H24ClFN4O — CID 119459600

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CC4CCC(C3)N4)cc2F)n1.Cl
InChIInChI=1S/C19H23FN4O.ClH/c1-11-7-12(2)24(23-11)18-6-3-13(8-17(18)20)19(25)22-16-9-14-4-5-15(10-16)21-14;/h3,6-8,14-16,21H,4-5,9-10H2,1-2H3,(H,22,25);1H
InChIKeyOECWIUNLCFYJIT-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.06
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride (PubChem CID 119459600) has the molecular formula C19H24ClFN4O and a molecular weight of 378.88 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
PubChem CID119459600
Molecular FormulaC19H24ClFN4O
Molecular Weight378.88 g/mol
Exact Mass378.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CC4CCC(C3)N4)cc2F)n1.Cl
InChIInChI=1S/C19H23FN4O.ClH/c1-11-7-12(2)24(23-11)18-6-3-13(8-17(18)20)19(25)22-16-9-14-4-5-15(10-16)21-14;/h3,6-8,14-16,21H,4-5,9-10H2,1-2H3,(H,22,25);1H
InChIKeyOECWIUNLCFYJIT-UHFFFAOYSA-N
XLogP3.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride with MolForge

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120576981
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
CID 119731535
2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid
CID 119213295
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119456634
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 124590558
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 119457311
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119459662
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride
CID 119376909
N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119630697
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119499692
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride (CID 119459600) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride is Cc1cc(C)n(-c2ccc(C(=O)NC3CC4CCC(C3)N4)cc2F)n1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride?
The InChIKey is OECWIUNLCFYJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O.ClH/c1-11-7-12(2)24(23-11)18-6-3-13(8-17(18)20)19(25)22-16-9-14-4-5-15(10-16)21-14;/h3,6-8,14-16,21H,4-5,9-10H2,1-2H3,(H,22,25);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119459600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).