3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole

C17H12F4N2O2 — CID 19587663

IUPAC3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)[nH]n2)cc1
InChIInChI=1S/C17H12F4N2O2/c18-16(19)24-12-5-1-10(2-6-12)14-9-15(23-22-14)11-3-7-13(8-4-11)25-17(20)21/h1-9,16-17H,(H,22,23)
InChIKeyMDPOZEOZGHIUTD-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.95
Rot. Bonds6

About 3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole

3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole (PubChem CID 19587663) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is 3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole
PubChem CID19587663
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC Name3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)[nH]n2)cc1
InChIInChI=1S/C17H12F4N2O2/c18-16(19)24-12-5-1-10(2-6-12)14-9-15(23-22-14)11-3-7-13(8-4-11)25-17(20)21/h1-9,16-17H,(H,22,23)
InChIKeyMDPOZEOZGHIUTD-UHFFFAOYSA-N
XLogP4.95
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-5-(4-methoxyphenyl)pyrazole
CID 2756469
3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
5-methoxy-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 874817
5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
[(2R)-2-amino-2-[3-[4-octoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propyl] dihydrogen phosphate
CID 59384372
4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
CID 2806185
2-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)-5-methylphenol
CID 755039
2-(5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl)phenol
CID 846291
2-[5-(4-Methoxy-phenyl)-1H-pyrazol-3-yl]-phenol
CID 3750129

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole?
The IUPAC name of 3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole (CID 19587663) is 3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole is FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)[nH]n2)cc1.
What is the InChIKey of 3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole?
The InChIKey is MDPOZEOZGHIUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c18-16(19)24-12-5-1-10(2-6-12)14-9-15(23-22-14)11-3-7-13(8-4-11)25-17(20)21/h1-9,16-17H,(H,22,23).
What are the key properties of 3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole?
3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole has a molecular weight of 352.29 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 19587663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).