2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide

C13H12BrF2N3O3 — CID 19524724

IUPAC2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
SMILESCOc1cc(NC(=O)Cn2cc(Br)cn2)ccc1OC(F)F
InChIInChI=1S/C13H12BrF2N3O3/c1-21-11-4-9(2-3-10(11)22-13(15)16)18-12(20)7-19-6-8(14)5-17-19/h2-6,13H,7H2,1H3,(H,18,20)
InChIKeyMPFWDXULCLYYPK-UHFFFAOYSA-N
MW376.16 g/mol
LogP2.89
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide

2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide (PubChem CID 19524724) has the molecular formula C13H12BrF2N3O3 and a molecular weight of 376.16 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
PubChem CID19524724
Molecular FormulaC13H12BrF2N3O3
Molecular Weight376.16 g/mol
Exact Mass375.00
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
SMILESCOc1cc(NC(=O)Cn2cc(Br)cn2)ccc1OC(F)F
InChIInChI=1S/C13H12BrF2N3O3/c1-21-11-4-9(2-3-10(11)22-13(15)16)18-12(20)7-19-6-8(14)5-17-19/h2-6,13H,7H2,1H3,(H,18,20)
InChIKeyMPFWDXULCLYYPK-UHFFFAOYSA-N
XLogP2.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]pyrazole-3-carboxamide
CID 19271867
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522617
2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 47263262
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
1-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazole-3-carboxamide
CID 19271868
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524111
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519269
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550050
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19561563
3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19554010
4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide
CID 19262883

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide (CID 19524724) is 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide is COc1cc(NC(=O)Cn2cc(Br)cn2)ccc1OC(F)F.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide?
The InChIKey is MPFWDXULCLYYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O3/c1-21-11-4-9(2-3-10(11)22-13(15)16)18-12(20)7-19-6-8(14)5-17-19/h2-6,13H,7H2,1H3,(H,18,20).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide?
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide has a molecular weight of 376.16 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide is sourced from PubChem (CID 19524724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).