5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole

C7H7ClF4N2 — CID 121210625

IUPAC5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole
SMILESFCCn1nc(C(F)(F)F)cc1CCl
InChIInChI=1S/C7H7ClF4N2/c8-4-5-3-6(7(10,11)12)13-14(5)2-1-9/h3H,1-2,4H2
InChIKeyDUVNTKMNQPZRJG-UHFFFAOYSA-N
MW230.59 g/mol
LogP2.61
Rot. Bonds3

About 5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole

5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 121210625) has the molecular formula C7H7ClF4N2 and a molecular weight of 230.59 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole
PubChem CID121210625
Molecular FormulaC7H7ClF4N2
Molecular Weight230.59 g/mol
Exact Mass230.02
IUPAC Name5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole
SMILESFCCn1nc(C(F)(F)F)cc1CCl
InChIInChI=1S/C7H7ClF4N2/c8-4-5-3-6(7(10,11)12)13-14(5)2-1-9/h3H,1-2,4H2
InChIKeyDUVNTKMNQPZRJG-UHFFFAOYSA-N
XLogP2.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.59
LogP ≤ 52.61
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

1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine
CID 121210709
1-(chloromethyl)-5-ethyl-3-(trifluoromethyl)pyrazole
CID 121211706
5-ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole
CID 118464187
1,5-diethyl-3-(trifluoromethyl)pyrazole
CID 88973141
2-chloro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide
CID 166407820
2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine
CID 121210697
1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole
CID 178092715
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 139944590
1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 130210325
1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 19623304
1-butyl-3-(trifluoromethyl)pyrazole-5-carbothialdehyde
CID 174580627
2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile
CID 121210689

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole (CID 121210625) is 5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole is FCCn1nc(C(F)(F)F)cc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is DUVNTKMNQPZRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF4N2/c8-4-5-3-6(7(10,11)12)13-14(5)2-1-9/h3H,1-2,4H2.
What are the key properties of 5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole?
5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 230.59 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 121210625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).