4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole

C7H8BrClF2N2 — CID 153366265

IUPAC4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole
SMILESCCn1nc(C(F)F)c(CBr)c1Cl
InChIInChI=1S/C7H8BrClF2N2/c1-2-13-6(9)4(3-8)5(12-13)7(10)11/h7H,2-3H2,1H3
InChIKeySJKWZJKCNBVUQU-UHFFFAOYSA-N
MW273.51 g/mol
LogP3.39
Rot. Bonds3

About 4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole

4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole (PubChem CID 153366265) has the molecular formula C7H8BrClF2N2 and a molecular weight of 273.51 g/mol. Its IUPAC name is 4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole
PubChem CID153366265
Molecular FormulaC7H8BrClF2N2
Molecular Weight273.51 g/mol
Exact Mass271.95
IUPAC Name4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole
SMILESCCn1nc(C(F)F)c(CBr)c1Cl
InChIInChI=1S/C7H8BrClF2N2/c1-2-13-6(9)4(3-8)5(12-13)7(10)11/h7H,2-3H2,1H3
InChIKeySJKWZJKCNBVUQU-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol
CID 61265708
5-chloro-3-(difluoromethyl)-1-propylpyrazole-4-carbonitrile
CID 63789510
[3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol
CID 156705155
9-(difluoromethyl)-7-ethyl-5,5-difluoro-3-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
CID 142466499
3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde
CID 153366257
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 4768666
9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
CID 142466262
3-chloro-2-ethylindazol-5-ol
CID 84720798
ethyl 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134662410
ethyl 2-[3-(bromomethyl)-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134686476
3-(bromomethyl)-4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130075107
5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075269

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole?
The IUPAC name of 4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole (CID 153366265) is 4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole.
What is the SMILES notation for 4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole?
The canonical SMILES for 4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole is CCn1nc(C(F)F)c(CBr)c1Cl.
What is the InChIKey of 4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole?
The InChIKey is SJKWZJKCNBVUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClF2N2/c1-2-13-6(9)4(3-8)5(12-13)7(10)11/h7H,2-3H2,1H3.
What are the key properties of 4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole?
4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole has a molecular weight of 273.51 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole is sourced from PubChem (CID 153366265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).