2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol

C19H18F2N2O2 — CID 58806564

IUPAC2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(CCO)cc2)cc1
InChIInChI=1S/C19H18F2N2O2/c1-25-16-8-6-15(7-9-16)23-18(12-17(22-23)19(20)21)14-4-2-13(3-5-14)10-11-24/h2-9,12,19,24H,10-11H2,1H3
InChIKeyWBMWDYCDZXHUMK-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.02
Rot. Bonds6

About 2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol

2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol (PubChem CID 58806564) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol
PubChem CID58806564
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(CCO)cc2)cc1
InChIInChI=1S/C19H18F2N2O2/c1-25-16-8-6-15(7-9-16)23-18(12-17(22-23)19(20)21)14-4-2-13(3-5-14)10-11-24/h2-9,12,19,24H,10-11H2,1H3
InChIKeyWBMWDYCDZXHUMK-UHFFFAOYSA-N
XLogP4.02
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol (CID 58806564) is 2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol is COc1ccc(-n2nc(C(F)F)cc2-c2ccc(CCO)cc2)cc1.
What is the InChIKey of 2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol?
The InChIKey is WBMWDYCDZXHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-25-16-8-6-15(7-9-16)23-18(12-17(22-23)19(20)21)14-4-2-13(3-5-14)10-11-24/h2-9,12,19,24H,10-11H2,1H3.
What are the key properties of 2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol?
2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol has a molecular weight of 344.36 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 58806564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).