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

C18H17F2N3O2 — CID 21090796

IUPAC2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(CCO)cc2)cn1
InChIInChI=1S/C18H17F2N3O2/c1-25-17-7-6-14(11-21-17)23-16(10-15(22-23)18(19)20)13-4-2-12(3-5-13)8-9-24/h2-7,10-11,18,24H,8-9H2,1H3
InChIKeyAPCQPHSQNQOUDB-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.42
Rot. Bonds6

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

2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol (PubChem CID 21090796) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol
PubChem CID21090796
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(CCO)cc2)cn1
InChIInChI=1S/C18H17F2N3O2/c1-25-17-7-6-14(11-21-17)23-16(10-15(22-23)18(19)20)13-4-2-12(3-5-13)8-9-24/h2-7,10-11,18,24H,8-9H2,1H3
InChIKeyAPCQPHSQNQOUDB-UHFFFAOYSA-N
XLogP3.42
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]phenyl]ethanol?
The IUPAC name of 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol (CID 21090796) is 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol is COc1ccc(-n2nc(C(F)F)cc2-c2ccc(CCO)cc2)cn1.
What is the InChIKey of 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol?
The InChIKey is APCQPHSQNQOUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-25-17-7-6-14(11-21-17)23-16(10-15(22-23)18(19)20)13-4-2-12(3-5-13)8-9-24/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]phenyl]ethanol?
2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol has a molecular weight of 345.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 21090796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).