N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide

C20H26N4O — CID 74735410

IUPACN-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CC2CCN1CC2c1cc(-c2ccccc2)nn1C
InChIInChI=1S/C20H26N4O/c1-14(25)21-12-17-10-16-8-9-24(17)13-18(16)20-11-19(22-23(20)2)15-6-4-3-5-7-15/h3-7,11,16-18H,8-10,12-13H2,1-2H3,(H,21,25)
InChIKeyPPILZYJPTPVERH-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.40
Rot. Bonds4

About N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide

N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide (PubChem CID 74735410) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide
PubChem CID74735410
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CC2CCN1CC2c1cc(-c2ccccc2)nn1C
InChIInChI=1S/C20H26N4O/c1-14(25)21-12-17-10-16-8-9-24(17)13-18(16)20-11-19(22-23(20)2)15-6-4-3-5-7-15/h3-7,11,16-18H,8-10,12-13H2,1-2H3,(H,21,25)
InChIKeyPPILZYJPTPVERH-UHFFFAOYSA-N
XLogP2.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide with MolForge

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Related Compounds

1-Butyl-3-(cyclohexylmethyl)-9-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;dihydrochloride
CID 90664936
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 16187815
1-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]-N-(4-isopropylphenyl)-3-piperidinamine
CID 24790840
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]isonipecotamide
CID 24816657
2-(1-benzyl-3-oxo-2-piperazinyl)-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]acetamide
CID 24817646
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 24818965
[(2R,4S,5R)-5-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl N-propan-2-ylcarbamate
CID 40780116
Tert-butyl 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperazine-1-carboxylate
CID 155521275
1-{1-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24790601

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide (CID 74735410) is N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide is CC(=O)NCC1CC2CCN1CC2c1cc(-c2ccccc2)nn1C.
What is the InChIKey of N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide?
The InChIKey is PPILZYJPTPVERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(25)21-12-17-10-16-8-9-24(17)13-18(16)20-11-19(22-23(20)2)15-6-4-3-5-7-15/h3-7,11,16-18H,8-10,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide?
N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide is sourced from PubChem (CID 74735410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).