2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide

C21H18BrF2N5O — CID 19520081

IUPAC2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C21H18BrF2N5O/c1-13-19(22)20(21(23)24)27-29(13)12-18(30)25-17-9-10-28(26-17)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-10,21H,11-12H2,1H3,(H,25,26,30)
InChIKeyQXSMKHXEQRIXCE-UHFFFAOYSA-N
MW474.31 g/mol
LogP4.93
Rot. Bonds6

About 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 19520081) has the molecular formula C21H18BrF2N5O and a molecular weight of 474.31 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID19520081
Molecular FormulaC21H18BrF2N5O
Molecular Weight474.31 g/mol
Exact Mass473.07
IUPAC Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C21H18BrF2N5O/c1-13-19(22)20(21(23)24)27-29(13)12-18(30)25-17-9-10-28(26-17)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-10,21H,11-12H2,1H3,(H,25,26,30)
InChIKeyQXSMKHXEQRIXCE-UHFFFAOYSA-N
XLogP4.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520105
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19526166
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520101
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19517389
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19523006
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19552110
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19535499
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19520042
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19520122

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide (CID 19520081) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide is Cc1c(Br)c(C(F)F)nn1CC(=O)Nc1ccn(Cc2cccc3ccccc23)n1.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is QXSMKHXEQRIXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrF2N5O/c1-13-19(22)20(21(23)24)27-29(13)12-18(30)25-17-9-10-28(26-17)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-10,21H,11-12H2,1H3,(H,25,26,30).
What are the key properties of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 474.31 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 19520081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).