2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol

C17H17F2N3O2 — CID 110928785

IUPAC2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
SMILESCc1occc1-c1cc(NCc2ccc(F)cc2F)n(CCO)n1
InChIInChI=1S/C17H17F2N3O2/c1-11-14(4-7-24-11)16-9-17(22(21-16)5-6-23)20-10-12-2-3-13(18)8-15(12)19/h2-4,7-9,20,23H,5-6,10H2,1H3
InChIKeyOIEYHXQQIHCDFK-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.33
Rot. Bonds6

About 2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol

2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol (PubChem CID 110928785) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
PubChem CID110928785
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
SMILESCc1occc1-c1cc(NCc2ccc(F)cc2F)n(CCO)n1
InChIInChI=1S/C17H17F2N3O2/c1-11-14(4-7-24-11)16-9-17(22(21-16)5-6-23)20-10-12-2-3-13(18)8-15(12)19/h2-4,7-9,20,23H,5-6,10H2,1H3
InChIKeyOIEYHXQQIHCDFK-UHFFFAOYSA-N
XLogP3.33
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol (CID 110928785) is 2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol is Cc1occc1-c1cc(NCc2ccc(F)cc2F)n(CCO)n1.
What is the InChIKey of 2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The InChIKey is OIEYHXQQIHCDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-11-14(4-7-24-11)16-9-17(22(21-16)5-6-23)20-10-12-2-3-13(18)8-15(12)19/h2-4,7-9,20,23H,5-6,10H2,1H3.
What are the key properties of 2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol has a molecular weight of 333.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 110928785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).