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

C10H8F2N2O — CID 22660760

IUPAC5-[3-(difluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)Oc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C10H8F2N2O/c11-10(12)15-8-3-1-2-7(6-8)9-4-5-13-14-9/h1-6,10H,(H,13,14)
InChIKeyOMJMZDQNLWYLNP-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.68
Rot. Bonds3

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

5-[3-(difluoromethoxy)phenyl]-1H-pyrazole (PubChem CID 22660760) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-1H-pyrazole
PubChem CID22660760
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name5-[3-(difluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)Oc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C10H8F2N2O/c11-10(12)15-8-3-1-2-7(6-8)9-4-5-13-14-9/h1-6,10H,(H,13,14)
InChIKeyOMJMZDQNLWYLNP-UHFFFAOYSA-N
XLogP2.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-1H-pyrazole?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-1H-pyrazole (CID 22660760) is 5-[3-(difluoromethoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-1H-pyrazole is FC(F)Oc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-1H-pyrazole?
The InChIKey is OMJMZDQNLWYLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c11-10(12)15-8-3-1-2-7(6-8)9-4-5-13-14-9/h1-6,10H,(H,13,14).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-1H-pyrazole?
5-[3-(difluoromethoxy)phenyl]-1H-pyrazole has a molecular weight of 210.18 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 22660760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).