4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C19H17F3N2O2 — CID 1036398

IUPAC4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)cc1OC
InChIInChI=1S/C19H17F3N2O2/c1-3-11-9-13(14(25)10-15(11)26-2)17-16(12-7-5-4-6-8-12)18(24-23-17)19(20,21)22/h4-10,25H,3H2,1-2H3,(H,23,24)
InChIKeySNUBRUPQCUACSG-UHFFFAOYSA-N
MW362.35 g/mol
LogP5.04
Rot. Bonds4

About 4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 1036398) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID1036398
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)cc1OC
InChIInChI=1S/C19H17F3N2O2/c1-3-11-9-13(14(25)10-15(11)26-2)17-16(12-7-5-4-6-8-12)18(24-23-17)19(20,21)22/h4-10,25H,3H2,1-2H3,(H,23,24)
InChIKeySNUBRUPQCUACSG-UHFFFAOYSA-N
XLogP5.04
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.35
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 1036398) is 4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is CCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)cc1OC.
What is the InChIKey of 4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is SNUBRUPQCUACSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-3-11-9-13(14(25)10-15(11)26-2)17-16(12-7-5-4-6-8-12)18(24-23-17)19(20,21)22/h4-10,25H,3H2,1-2H3,(H,23,24).
What are the key properties of 4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 362.35 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 1036398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).