2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C13H13BrFN3O — CID 122158377

IUPAC2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H13BrFN3O/c1-7-13(8(2)18-17-7)16-12(19)6-9-3-4-11(15)10(14)5-9/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFORWAALDQJKQSH-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.11
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 122158377) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID122158377
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H13BrFN3O/c1-7-13(8(2)18-17-7)16-12(19)6-9-3-4-11(15)10(14)5-9/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFORWAALDQJKQSH-UHFFFAOYSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43402634
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 136549867
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indol-6-yl)acetamide
CID 112525224
2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 47466464
2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397452
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4791415
2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 47293530
2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 97334834
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 43546935
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112777242
5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
CID 107908306

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 122158377) is 2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is FORWAALDQJKQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-7-13(8(2)18-17-7)16-12(19)6-9-3-4-11(15)10(14)5-9/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 326.17 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 122158377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).