1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole

C7H7ClF2N2 — CID 86033464

IUPAC1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C(F)=C(F)Cl)n1
InChIInChI=1S/C7H7ClF2N2/c1-4-3-5(2)12(11-4)7(10)6(8)9/h3H,1-2H3
InChIKeyQDQDSBKLTRHPDS-UHFFFAOYSA-N
MW192.60 g/mol
LogP2.76
Rot. Bonds1

About 1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole

1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole (PubChem CID 86033464) has the molecular formula C7H7ClF2N2 and a molecular weight of 192.60 g/mol. Its IUPAC name is 1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole
PubChem CID86033464
Molecular FormulaC7H7ClF2N2
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Name1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C(F)=C(F)Cl)n1
InChIInChI=1S/C7H7ClF2N2/c1-4-3-5(2)12(11-4)7(10)6(8)9/h3H,1-2H3
InChIKeyQDQDSBKLTRHPDS-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole (CID 86033464) is 1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole is Cc1cc(C)n(C(F)=C(F)Cl)n1.
What is the InChIKey of 1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole?
The InChIKey is QDQDSBKLTRHPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2/c1-4-3-5(2)12(11-4)7(10)6(8)9/h3H,1-2H3.
What are the key properties of 1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole?
1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole has a molecular weight of 192.60 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,2-difluoroethenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 86033464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).