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

C19H16F5N3O2 — CID 58806562

IUPAC2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol
SMILESCOc1ccc(-n2nc(C(F)(F)C(F)(F)F)cc2-c2ccc(CCO)cc2)cn1
InChIInChI=1S/C19H16F5N3O2/c1-29-17-7-6-14(11-25-17)27-15(13-4-2-12(3-5-13)8-9-28)10-16(26-27)18(20,21)19(22,23)24/h2-7,10-11,28H,8-9H2,1H3
InChIKeyFITKXHAZQWEMLT-UHFFFAOYSA-N
MW413.35 g/mol
LogP4.13
Rot. Bonds6

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

2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol (PubChem CID 58806562) has the molecular formula C19H16F5N3O2 and a molecular weight of 413.35 g/mol. Its IUPAC name is 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol
PubChem CID58806562
Molecular FormulaC19H16F5N3O2
Molecular Weight413.35 g/mol
Exact Mass413.12
IUPAC Name2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol
SMILESCOc1ccc(-n2nc(C(F)(F)C(F)(F)F)cc2-c2ccc(CCO)cc2)cn1
InChIInChI=1S/C19H16F5N3O2/c1-29-17-7-6-14(11-25-17)27-15(13-4-2-12(3-5-13)8-9-28)10-16(26-27)18(20,21)19(22,23)24/h2-7,10-11,28H,8-9H2,1H3
InChIKeyFITKXHAZQWEMLT-UHFFFAOYSA-N
XLogP4.13
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 155520839
CID 155520839
CID 155544904
CID 155544904
CID 742245
CID 742245
CID 24752867
CID 24752867
CID 24798187
CID 24798187
CID 46938915
CID 46938915
CID 58014021
CID 58014021
CID 90252809
CID 90252809
CID 16190220
CID 16190220
CID 44351275
CID 44351275
CID 72193179
CID 72193179
CID 155514779
CID 155514779

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol (CID 58806562) is 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol is COc1ccc(-n2nc(C(F)(F)C(F)(F)F)cc2-c2ccc(CCO)cc2)cn1.
What is the InChIKey of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol?
The InChIKey is FITKXHAZQWEMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5N3O2/c1-29-17-7-6-14(11-25-17)27-15(13-4-2-12(3-5-13)8-9-28)10-16(26-27)18(20,21)19(22,23)24/h2-7,10-11,28H,8-9H2,1H3.
What are the key properties of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol?
2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol has a molecular weight of 413.35 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 58806562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).