N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide

C23H27BrN4O — CID 24565669

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)Cc1ccccc1Br
InChIInChI=1S/C23H27BrN4O/c1-17-21(18(2)28(26-17)14-19-9-5-4-6-10-19)13-25-23(29)16-27(3)15-20-11-7-8-12-22(20)24/h4-12H,13-16H2,1-3H3,(H,25,29)
InChIKeyGHMMEMFHGXEZSQ-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.06
Rot. Bonds8

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide (PubChem CID 24565669) has the molecular formula C23H27BrN4O and a molecular weight of 455.40 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide
PubChem CID24565669
Molecular FormulaC23H27BrN4O
Molecular Weight455.40 g/mol
Exact Mass454.14
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)Cc1ccccc1Br
InChIInChI=1S/C23H27BrN4O/c1-17-21(18(2)28(26-17)14-19-9-5-4-6-10-19)13-25-23(29)16-27(3)15-20-11-7-8-12-22(20)24/h4-12H,13-16H2,1-3H3,(H,25,29)
InChIKeyGHMMEMFHGXEZSQ-UHFFFAOYSA-N
XLogP4.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 24566118
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 24665168
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110883026
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 24566382
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide
CID 18129608
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide
CID 55741405
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(4-bromophenyl)methylsulfonyl]acetamide
CID 112826317
4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide (CID 24565669) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)Cc1ccccc1Br.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The InChIKey is GHMMEMFHGXEZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN4O/c1-17-21(18(2)28(26-17)14-19-9-5-4-6-10-19)13-25-23(29)16-27(3)15-20-11-7-8-12-22(20)24/h4-12H,13-16H2,1-3H3,(H,25,29).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide has a molecular weight of 455.40 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 24565669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).