2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride

C14H13ClF2N2O — CID 142566404

IUPAC2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride
SMILESCc1cn(C(C)(C)C(=O)Cl)nc1-c1c(F)cccc1F
InChIInChI=1S/C14H13ClF2N2O/c1-8-7-19(14(2,3)13(15)20)18-12(8)11-9(16)5-4-6-10(11)17/h4-7H,1-3H3
InChIKeyIMKWWNLUGWHIPO-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.64
Rot. Bonds3

About 2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride

2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride (PubChem CID 142566404) has the molecular formula C14H13ClF2N2O and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride
PubChem CID142566404
Molecular FormulaC14H13ClF2N2O
Molecular Weight298.72 g/mol
Exact Mass298.07
IUPAC Name2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride
SMILESCc1cn(C(C)(C)C(=O)Cl)nc1-c1c(F)cccc1F
InChIInChI=1S/C14H13ClF2N2O/c1-8-7-19(14(2,3)13(15)20)18-12(8)11-9(16)5-4-6-10(11)17/h4-7H,1-3H3
InChIKeyIMKWWNLUGWHIPO-UHFFFAOYSA-N
XLogP3.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-(2,6-difluorophenyl)pyrazole-4-carboxylic acid
CID 43324405
[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485433
4-bromo-3-(2,6-difluorophenyl)-1-tritylpyrazole
CID 22032496
ethyl 2-[3-(3-fluoro-2-pyridinyl)-4-methoxypyrazol-1-yl]-2-methylpropanoate
CID 142565921
1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone
CID 130437789
2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 119053475
2-[3-(2-chloro-6-fluorophenyl)pyrazol-1-yl]-2-methylpropanal
CID 142565890
N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 90271466
2-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 84733376
4-(2,6-difluorophenyl)imidazole-1,5-diamine
CID 62481561
5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one
CID 165389180
2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048265

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride?
The IUPAC name of 2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride (CID 142566404) is 2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride.
What is the SMILES notation for 2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride?
The canonical SMILES for 2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride is Cc1cn(C(C)(C)C(=O)Cl)nc1-c1c(F)cccc1F.
What is the InChIKey of 2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride?
The InChIKey is IMKWWNLUGWHIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O/c1-8-7-19(14(2,3)13(15)20)18-12(8)11-9(16)5-4-6-10(11)17/h4-7H,1-3H3.
What are the key properties of 2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride?
2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride has a molecular weight of 298.72 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-difluorophenyl)-4-methylpyrazol-1-yl]-2-methylpropanoyl chloride is sourced from PubChem (CID 142566404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).