5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole

C11H16ClF3N2 — CID 130325051

IUPAC5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCCCCCCc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C11H16ClF3N2/c1-3-4-5-6-7-8-9(11(13,14)15)16-17(2)10(8)12/h3-7H2,1-2H3
InChIKeyVPJZSUVRBPCNKP-UHFFFAOYSA-N
MW268.71 g/mol
LogP4.22
Rot. Bonds5

About 5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole

5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 130325051) has the molecular formula C11H16ClF3N2 and a molecular weight of 268.71 g/mol. Its IUPAC name is 5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID130325051
Molecular FormulaC11H16ClF3N2
Molecular Weight268.71 g/mol
Exact Mass268.10
IUPAC Name5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCCCCCCc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C11H16ClF3N2/c1-3-4-5-6-7-8-9(11(13,14)15)16-17(2)10(8)12/h3-7H2,1-2H3
InChIKeyVPJZSUVRBPCNKP-UHFFFAOYSA-N
XLogP4.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Tert-butyl-5-fluoro-1-methyl-3-propylpyrazole
CID 57709315
4-Tert-butyl-5-chloro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 57709427
4-Tert-butyl-3-chloro-1-methyl-5-(trifluoromethyl)pyrazole
CID 58157373
4-Tert-butyl-5-chloro-1-methyl-3-(trifluoromethyl)pyrazole
CID 58157376
5-Tert-butyl-4-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157460
4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole
CID 58183059
5-Chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 58279026
5-Chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 59688331
5-Chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 59744009
4-Chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 68346369
4-Ethyl-5-fluoro-1-methyl-3-propylpyrazole
CID 68381470
5-Chloro-1-methyl-4-propyl-3-(trifluoromethyl)pyrazole
CID 68402208

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole (CID 130325051) is 5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole is CCCCCCc1c(C(F)(F)F)nn(C)c1Cl.
What is the InChIKey of 5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is VPJZSUVRBPCNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF3N2/c1-3-4-5-6-7-8-9(11(13,14)15)16-17(2)10(8)12/h3-7H2,1-2H3.
What are the key properties of 5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole?
5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 268.71 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 130325051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).