3-[1-(difluoromethyl)pyrazol-4-yl]phenol

C10H8F2N2O — CID 171392227

IUPAC3-[1-(difluoromethyl)pyrazol-4-yl]phenol
SMILESOc1cccc(-c2cnn(C(F)F)c2)c1
InChIInChI=1S/C10H8F2N2O/c11-10(12)14-6-8(5-13-14)7-2-1-3-9(15)4-7/h1-6,10,15H
InChIKeyIQDPJSRTNPWJMG-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.65
Rot. Bonds2

About 3-[1-(difluoromethyl)pyrazol-4-yl]phenol

3-[1-(difluoromethyl)pyrazol-4-yl]phenol (PubChem CID 171392227) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-[1-(difluoromethyl)pyrazol-4-yl]phenol.

Molecular Properties

Compound Name3-[1-(difluoromethyl)pyrazol-4-yl]phenol
PubChem CID171392227
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name3-[1-(difluoromethyl)pyrazol-4-yl]phenol
SMILESOc1cccc(-c2cnn(C(F)F)c2)c1
InChIInChI=1S/C10H8F2N2O/c11-10(12)14-6-8(5-13-14)7-2-1-3-9(15)4-7/h1-6,10,15H
InChIKeyIQDPJSRTNPWJMG-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(difluoromethyl)pyrazol-4-yl]phenol?
The IUPAC name of 3-[1-(difluoromethyl)pyrazol-4-yl]phenol (CID 171392227) is 3-[1-(difluoromethyl)pyrazol-4-yl]phenol.
What is the SMILES notation for 3-[1-(difluoromethyl)pyrazol-4-yl]phenol?
The canonical SMILES for 3-[1-(difluoromethyl)pyrazol-4-yl]phenol is Oc1cccc(-c2cnn(C(F)F)c2)c1.
What is the InChIKey of 3-[1-(difluoromethyl)pyrazol-4-yl]phenol?
The InChIKey is IQDPJSRTNPWJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c11-10(12)14-6-8(5-13-14)7-2-1-3-9(15)4-7/h1-6,10,15H.
What are the key properties of 3-[1-(difluoromethyl)pyrazol-4-yl]phenol?
3-[1-(difluoromethyl)pyrazol-4-yl]phenol has a molecular weight of 210.18 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(difluoromethyl)pyrazol-4-yl]phenol is sourced from PubChem (CID 171392227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).