3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole

C6H7ClF2N2 — CID 118030077

IUPAC3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole
SMILESCc1c(Cl)nn(C(F)F)c1C
InChIInChI=1S/C6H7ClF2N2/c1-3-4(2)11(6(8)9)10-5(3)7/h6H,1-2H3
InChIKeyHVEFGSRIENXVNZ-UHFFFAOYSA-N
MW180.59 g/mol
LogP2.55
Rot. Bonds1

About 3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole

3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole (PubChem CID 118030077) has the molecular formula C6H7ClF2N2 and a molecular weight of 180.59 g/mol. Its IUPAC name is 3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole.

Molecular Properties

Compound Name3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole
PubChem CID118030077
Molecular FormulaC6H7ClF2N2
Molecular Weight180.59 g/mol
Exact Mass180.03
IUPAC Name3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole
SMILESCc1c(Cl)nn(C(F)F)c1C
InChIInChI=1S/C6H7ClF2N2/c1-3-4(2)11(6(8)9)10-5(3)7/h6H,1-2H3
InChIKeyHVEFGSRIENXVNZ-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole?
The IUPAC name of 3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole (CID 118030077) is 3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole.
What is the SMILES notation for 3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole?
The canonical SMILES for 3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole is Cc1c(Cl)nn(C(F)F)c1C.
What is the InChIKey of 3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole?
The InChIKey is HVEFGSRIENXVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N2/c1-3-4(2)11(6(8)9)10-5(3)7/h6H,1-2H3.
What are the key properties of 3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole?
3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole has a molecular weight of 180.59 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(difluoromethyl)-4,5-dimethylpyrazole is sourced from PubChem (CID 118030077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).