1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol

C10H7F3N2O — CID 2783031

IUPAC1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol
SMILESOc1cnn(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(4-7)15-6-9(16)5-14-15/h1-6,16H
InChIKeySGZRMGCFXYGLQZ-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.60
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol

1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol (PubChem CID 2783031) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol
PubChem CID2783031
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol
SMILESOc1cnn(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(4-7)15-6-9(16)5-14-15/h1-6,16H
InChIKeySGZRMGCFXYGLQZ-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol (CID 2783031) is 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol is Oc1cnn(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol?
The InChIKey is SGZRMGCFXYGLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(4-7)15-6-9(16)5-14-15/h1-6,16H.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol?
1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol has a molecular weight of 228.17 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol is sourced from PubChem (CID 2783031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).