5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole

C9H14F2N2 — CID 134466447

IUPAC5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole
SMILESC=CC1=C(C(C)(F)F)N(C)N(C)C1
InChIInChI=1S/C9H14F2N2/c1-5-7-6-12(3)13(4)8(7)9(2,10)11/h5H,1,6H2,2-4H3
InChIKeyHIFYIXNXPFWVKA-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.87
Rot. Bonds2

About 5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole

5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole (PubChem CID 134466447) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole
PubChem CID134466447
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole
SMILESC=CC1=C(C(C)(F)F)N(C)N(C)C1
InChIInChI=1S/C9H14F2N2/c1-5-7-6-12(3)13(4)8(7)9(2,10)11/h5H,1,6H2,2-4H3
InChIKeyHIFYIXNXPFWVKA-UHFFFAOYSA-N
XLogP1.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole?
The IUPAC name of 5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole (CID 134466447) is 5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole is C=CC1=C(C(C)(F)F)N(C)N(C)C1.
What is the InChIKey of 5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole?
The InChIKey is HIFYIXNXPFWVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-5-7-6-12(3)13(4)8(7)9(2,10)11/h5H,1,6H2,2-4H3.
What are the key properties of 5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole?
5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole has a molecular weight of 188.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-4-ethenyl-1,2-dimethyl-3H-pyrazole is sourced from PubChem (CID 134466447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).