4-[4-(difluoromethoxy)pyrazol-1-yl]phenol

C10H8F2N2O2 — CID 70818878

IUPAC4-[4-(difluoromethoxy)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2cc(OC(F)F)cn2)cc1
InChIInChI=1S/C10H8F2N2O2/c11-10(12)16-9-5-13-14(6-9)7-1-3-8(15)4-2-7/h1-6,10,15H
InChIKeyULCUWSHDYSPYBA-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.18
Rot. Bonds3

About 4-[4-(difluoromethoxy)pyrazol-1-yl]phenol

4-[4-(difluoromethoxy)pyrazol-1-yl]phenol (PubChem CID 70818878) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)pyrazol-1-yl]phenol
PubChem CID70818878
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name4-[4-(difluoromethoxy)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2cc(OC(F)F)cn2)cc1
InChIInChI=1S/C10H8F2N2O2/c11-10(12)16-9-5-13-14(6-9)7-1-3-8(15)4-2-7/h1-6,10,15H
InChIKeyULCUWSHDYSPYBA-UHFFFAOYSA-N
XLogP2.18
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)pyrazol-1-yl]phenol?
The IUPAC name of 4-[4-(difluoromethoxy)pyrazol-1-yl]phenol (CID 70818878) is 4-[4-(difluoromethoxy)pyrazol-1-yl]phenol.
What is the SMILES notation for 4-[4-(difluoromethoxy)pyrazol-1-yl]phenol?
The canonical SMILES for 4-[4-(difluoromethoxy)pyrazol-1-yl]phenol is Oc1ccc(-n2cc(OC(F)F)cn2)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)pyrazol-1-yl]phenol?
The InChIKey is ULCUWSHDYSPYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c11-10(12)16-9-5-13-14(6-9)7-1-3-8(15)4-2-7/h1-6,10,15H.
What are the key properties of 4-[4-(difluoromethoxy)pyrazol-1-yl]phenol?
4-[4-(difluoromethoxy)pyrazol-1-yl]phenol has a molecular weight of 226.18 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)pyrazol-1-yl]phenol is sourced from PubChem (CID 70818878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).