2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide

C21H28N4O — CID 119691759

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C21H28N4O/c1-14-20(15(2)25(24-14)19-6-4-3-5-7-19)13-22-21(26)12-16-10-17-8-9-18(11-16)23-17/h3-7,16-18,23H,8-13H2,1-2H3,(H,22,26)
InChIKeyLBFNUEDJNBTLEA-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.03
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 119691759) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID119691759
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C21H28N4O/c1-14-20(15(2)25(24-14)19-6-4-3-5-7-19)13-22-21(26)12-16-10-17-8-9-18(11-16)23-17/h3-7,16-18,23H,8-13H2,1-2H3,(H,22,26)
InChIKeyLBFNUEDJNBTLEA-UHFFFAOYSA-N
XLogP3.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699804
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 134013955
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
CID 46653199
1-[3-(cyclopropylmethoxy)propyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 86994167
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907001
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78810073
(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128975644
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119691733
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618533
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 119691735

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide (CID 119691759) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is LBFNUEDJNBTLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-14-20(15(2)25(24-14)19-6-4-3-5-7-19)13-22-21(26)12-16-10-17-8-9-18(11-16)23-17/h3-7,16-18,23H,8-13H2,1-2H3,(H,22,26).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.03, 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-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 119691759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).