1-[3-(difluoromethoxy)phenyl]pyrazole

C10H8F2N2O — CID 141394901

IUPAC1-[3-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1cccc(-n2cccn2)c1
InChIInChI=1S/C10H8F2N2O/c11-10(12)15-9-4-1-3-8(7-9)14-6-2-5-13-14/h1-7,10H
InChIKeyRFJYHEFAHQAONB-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.47
Rot. Bonds3

About 1-[3-(difluoromethoxy)phenyl]pyrazole

1-[3-(difluoromethoxy)phenyl]pyrazole (PubChem CID 141394901) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]pyrazole
PubChem CID141394901
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name1-[3-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1cccc(-n2cccn2)c1
InChIInChI=1S/C10H8F2N2O/c11-10(12)15-9-4-1-3-8(7-9)14-6-2-5-13-14/h1-7,10H
InChIKeyRFJYHEFAHQAONB-UHFFFAOYSA-N
XLogP2.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]pyrazole (CID 141394901) is 1-[3-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]pyrazole is FC(F)Oc1cccc(-n2cccn2)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is RFJYHEFAHQAONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c11-10(12)15-9-4-1-3-8(7-9)14-6-2-5-13-14/h1-7,10H.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]pyrazole?
1-[3-(difluoromethoxy)phenyl]pyrazole has a molecular weight of 210.18 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 141394901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).