1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride

C7H8ClFN2O — CID 122164972

IUPAC1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride
SMILESCCn1nc(C)c(C(=O)Cl)c1F
InChIInChI=1S/C7H8ClFN2O/c1-3-11-7(9)5(6(8)12)4(2)10-11/h3H2,1-2H3
InChIKeyWDKRAFFFHGMEDS-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.73
Rot. Bonds2

About 1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride

1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride (PubChem CID 122164972) has the molecular formula C7H8ClFN2O and a molecular weight of 190.60 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride.

Molecular Properties

Compound Name1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride
PubChem CID122164972
Molecular FormulaC7H8ClFN2O
Molecular Weight190.60 g/mol
Exact Mass190.03
IUPAC Name1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride
SMILESCCn1nc(C)c(C(=O)Cl)c1F
InChIInChI=1S/C7H8ClFN2O/c1-3-11-7(9)5(6(8)12)4(2)10-11/h3H2,1-2H3
InChIKeyWDKRAFFFHGMEDS-UHFFFAOYSA-N
XLogP1.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.73
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-ethyl-5-fluoro-3-methylpyrazole-4-carboxylic acid
CID 119053480
1-ethyl-5-fluoropyrazole-4-carbonyl chloride
CID 90480915
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-phenylmethanone
CID 22747496
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 19472103
N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 35335727
1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 19622826
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 114980619
1-(2-chloroprop-2-enyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565542
1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one
CID 80695292
methyl 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2,4-dioxobutanoate;hydrochloride
CID 163330060
N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide
CID 19477984

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride?
The IUPAC name of 1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride (CID 122164972) is 1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride.
What is the SMILES notation for 1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride?
The canonical SMILES for 1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride is CCn1nc(C)c(C(=O)Cl)c1F.
What is the InChIKey of 1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride?
The InChIKey is WDKRAFFFHGMEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c1-3-11-7(9)5(6(8)12)4(2)10-11/h3H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride?
1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride has a molecular weight of 190.60 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-3-methylpyrazole-4-carbonyl chloride is sourced from PubChem (CID 122164972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).