5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole

C8H11ClF2N2 — CID 148805510

IUPAC5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole
SMILESCCCc1c(C(F)F)nn(C)c1Cl
InChIInChI=1S/C8H11ClF2N2/c1-3-4-5-6(8(10)11)12-13(2)7(5)9/h8H,3-4H2,1-2H3
InChIKeyOOWMBRRIERGPFN-UHFFFAOYSA-N
MW208.64 g/mol
LogP2.96
Rot. Bonds3

About 5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole

5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole (PubChem CID 148805510) has the molecular formula C8H11ClF2N2 and a molecular weight of 208.64 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole
PubChem CID148805510
Molecular FormulaC8H11ClF2N2
Molecular Weight208.64 g/mol
Exact Mass208.06
IUPAC Name5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole
SMILESCCCc1c(C(F)F)nn(C)c1Cl
InChIInChI=1S/C8H11ClF2N2/c1-3-4-5-6(8(10)11)12-13(2)7(5)9/h8H,3-4H2,1-2H3
InChIKeyOOWMBRRIERGPFN-UHFFFAOYSA-N
XLogP2.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)acetonitrile
CID 75480775
1,3,5-Trimethyl-4-propylpyrazole
CID 13792879
4-Butyl-1,3,5-trimethylpyrazole
CID 127012036
5-chloro-1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71758738
4-(1,2-Dichloroethyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 22380993
4-(1-Chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 23065168
5-Fluoro-1,3-dimethyl-4-(3-methylpentan-3-yl)pyrazole
CID 57647571
4-Tert-butyl-3-ethyl-5-fluoro-1-methylpyrazole
CID 57709287
4-Tert-butyl-5-fluoro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 57709391
4-Tert-butyl-5-chloro-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 57709427
4-Tert-butyl-3-[chloro(difluoro)methyl]-1-cyclohexyl-5-methylpyrazole
CID 57812992
4-Tert-butyl-3-chloro-1-methyl-5-(trifluoromethyl)pyrazole
CID 58157373

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole (CID 148805510) is 5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole is CCCc1c(C(F)F)nn(C)c1Cl.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole?
The InChIKey is OOWMBRRIERGPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2N2/c1-3-4-5-6(8(10)11)12-13(2)7(5)9/h8H,3-4H2,1-2H3.
What are the key properties of 5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole?
5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole has a molecular weight of 208.64 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-1-methyl-4-propylpyrazole is sourced from PubChem (CID 148805510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).