2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C25H26N4O2 — CID 9406717

IUPAC2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3cc(C)nn3-c3ccccc3)ccc2c1
InChIInChI=1S/C25H26N4O2/c1-18-13-24(29(27-18)22-7-5-4-6-8-22)26-25(30)17-28(2)16-19-9-10-21-15-23(31-3)12-11-20(21)14-19/h4-15H,16-17H2,1-3H3,(H,26,30)
InChIKeyPMBWXVFKRLFIST-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.41
Rot. Bonds7

About 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 9406717) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID9406717
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3cc(C)nn3-c3ccccc3)ccc2c1
InChIInChI=1S/C25H26N4O2/c1-18-13-24(29(27-18)22-7-5-4-6-8-22)26-25(30)17-28(2)16-19-9-10-21-15-23(31-3)12-11-20(21)14-19/h4-15H,16-17H2,1-3H3,(H,26,30)
InChIKeyPMBWXVFKRLFIST-UHFFFAOYSA-N
XLogP4.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 8695024
2-[methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 56814566
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872728
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46556044
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
N-(2,3-dimethylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053927
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 78825870
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8924997
ethyl 5-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 55446785
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7225651
N-(5-chloro-2-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053943

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 9406717) is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is COc1ccc2cc(CN(C)CC(=O)Nc3cc(C)nn3-c3ccccc3)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is PMBWXVFKRLFIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-13-24(29(27-18)22-7-5-4-6-8-22)26-25(30)17-28(2)16-19-9-10-21-15-23(31-3)12-11-20(21)14-19/h4-15H,16-17H2,1-3H3,(H,26,30).
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 9406717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).