3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole

C17H16F2N2 — CID 10193000

IUPAC3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole
SMILESCN1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1
InChIInChI=1S/C17H16F2N2/c1-17(12-6-4-3-5-7-12)11-16(20-21(17)2)14-10-13(18)8-9-15(14)19/h3-10H,11H2,1-2H3
InChIKeyWZQMFGKJYIRKIM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.92
Rot. Bonds2

About 3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole

3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole (PubChem CID 10193000) has the molecular formula C17H16F2N2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole
PubChem CID10193000
Molecular FormulaC17H16F2N2
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole
SMILESCN1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1
InChIInChI=1S/C17H16F2N2/c1-17(12-6-4-3-5-7-12)11-16(20-21(17)2)14-10-13(18)8-9-15(14)19/h3-10H,11H2,1-2H3
InChIKeyWZQMFGKJYIRKIM-UHFFFAOYSA-N
XLogP3.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole?
The IUPAC name of 3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole (CID 10193000) is 3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole?
The canonical SMILES for 3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole is CN1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole?
The InChIKey is WZQMFGKJYIRKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2/c1-17(12-6-4-3-5-7-12)11-16(20-21(17)2)14-10-13(18)8-9-15(14)19/h3-10H,11H2,1-2H3.
What are the key properties of 3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole?
3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole has a molecular weight of 286.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole is sourced from PubChem (CID 10193000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).