4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol

C14H9F3N2O2 — CID 90316161

IUPAC4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)13-8-11(12-2-1-7-21-12)19(18-13)9-3-5-10(20)6-4-9/h1-8,20H
InChIKeyFALABDMXKALMCH-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.86
Rot. Bonds2

About 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol

4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol (PubChem CID 90316161) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
PubChem CID90316161
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)13-8-11(12-2-1-7-21-12)19(18-13)9-3-5-10(20)6-4-9/h1-8,20H
InChIKeyFALABDMXKALMCH-UHFFFAOYSA-N
XLogP3.86
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The IUPAC name of 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol (CID 90316161) is 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol is Oc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1.
What is the InChIKey of 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The InChIKey is FALABDMXKALMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c15-14(16,17)13-8-11(12-2-1-7-21-12)19(18-13)9-3-5-10(20)6-4-9/h1-8,20H.
What are the key properties of 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol has a molecular weight of 294.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 90316161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).