N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C20H26N4O — CID 119456634

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NC3CC4CCC(C3)N4)c2)n1
InChIInChI=1S/C20H26N4O/c1-13-8-14(2)24(23-13)12-15-4-3-5-16(9-15)20(25)22-19-10-17-6-7-18(11-19)21-17/h3-5,8-9,17-19,21H,6-7,10-12H2,1-2H3,(H,22,25)
InChIKeyRYLLPVYCAPCDLC-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.56
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 119456634) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID119456634
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NC3CC4CCC(C3)N4)c2)n1
InChIInChI=1S/C20H26N4O/c1-13-8-14(2)24(23-13)12-15-4-3-5-16(9-15)20(25)22-19-10-17-6-7-18(11-19)21-17/h3-5,8-9,17-19,21H,6-7,10-12H2,1-2H3,(H,22,25)
InChIKeyRYLLPVYCAPCDLC-UHFFFAOYSA-N
XLogP2.56
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451087
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 126769620
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661556
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 119458289
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 51128124
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119890
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119461459
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
CID 119459600
cis-(1S,3R)-3-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676160
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
CID 51128117
N-(4-aminocyclohexyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119474893

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 119456634) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)NC3CC4CCC(C3)N4)c2)n1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is RYLLPVYCAPCDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-8-14(2)24(23-13)12-15-4-3-5-16(9-15)20(25)22-19-10-17-6-7-18(11-19)21-17/h3-5,8-9,17-19,21H,6-7,10-12H2,1-2H3,(H,22,25).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 338.46 g/mol, XLogP of 2.56, 4 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)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 119456634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).