2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol

C18H17F2N3O3 — CID 58806821

IUPAC2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(OCCO)cc2)cn1
InChIInChI=1S/C18H17F2N3O3/c1-25-17-7-4-13(11-21-17)23-16(10-15(22-23)18(19)20)12-2-5-14(6-3-12)26-9-8-24/h2-7,10-11,18,24H,8-9H2,1H3
InChIKeyIBZIZHLEUUMRHR-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.25
Rot. Bonds7

About 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol

2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol (PubChem CID 58806821) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol
PubChem CID58806821
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(OCCO)cc2)cn1
InChIInChI=1S/C18H17F2N3O3/c1-25-17-7-4-13(11-21-17)23-16(10-15(22-23)18(19)20)12-2-5-14(6-3-12)26-9-8-24/h2-7,10-11,18,24H,8-9H2,1H3
InChIKeyIBZIZHLEUUMRHR-UHFFFAOYSA-N
XLogP3.25
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol (CID 58806821) is 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol is COc1ccc(-n2nc(C(F)F)cc2-c2ccc(OCCO)cc2)cn1.
What is the InChIKey of 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol?
The InChIKey is IBZIZHLEUUMRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-25-17-7-4-13(11-21-17)23-16(10-15(22-23)18(19)20)12-2-5-14(6-3-12)26-9-8-24/h2-7,10-11,18,24H,8-9H2,1H3.
What are the key properties of 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol?
2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol has a molecular weight of 361.35 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol is sourced from PubChem (CID 58806821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).