3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole

C5H3Cl2F3N2 — CID 11820701

IUPAC3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(Cl)c(Cl)c1C(F)(F)F
InChIInChI=1S/C5H3Cl2F3N2/c1-12-3(5(8,9)10)2(6)4(7)11-12/h1H3
InChIKeyGNEUTVFPAFVFDA-UHFFFAOYSA-N
MW218.99 g/mol
LogP2.75
Rot. Bonds

About 3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole

3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 11820701) has the molecular formula C5H3Cl2F3N2 and a molecular weight of 218.99 g/mol. Its IUPAC name is 3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID11820701
Molecular FormulaC5H3Cl2F3N2
Molecular Weight218.99 g/mol
Exact Mass217.96
IUPAC Name3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(Cl)c(Cl)c1C(F)(F)F
InChIInChI=1S/C5H3Cl2F3N2/c1-12-3(5(8,9)10)2(6)4(7)11-12/h1H3
InChIKeyGNEUTVFPAFVFDA-UHFFFAOYSA-N
XLogP2.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.99
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole (CID 11820701) is 3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(Cl)c(Cl)c1C(F)(F)F.
What is the InChIKey of 3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is GNEUTVFPAFVFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2F3N2/c1-12-3(5(8,9)10)2(6)4(7)11-12/h1H3.
What are the key properties of 3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole?
3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 218.99 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 11820701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).