3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

C10H9F3N2OS — CID 5290045

IUPAC3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SMILESOC1(C(F)(F)F)CC(/C=C/c2cccs2)=NN1
InChIInChI=1S/C10H9F3N2OS/c11-10(12,13)9(16)6-7(14-15-9)3-4-8-2-1-5-17-8/h1-5,15-16H,6H2/b4-3+
InChIKeyMPHFSIYFSXOZEZ-ONEGZZNKSA-N
MW262.26 g/mol
LogP2.36
Rot. Bonds2

About 3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol (PubChem CID 5290045) has the molecular formula C10H9F3N2OS and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol.

Molecular Properties

Compound Name3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
PubChem CID5290045
Molecular FormulaC10H9F3N2OS
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SMILESOC1(C(F)(F)F)CC(/C=C/c2cccs2)=NN1
InChIInChI=1S/C10H9F3N2OS/c11-10(12,13)9(16)6-7(14-15-9)3-4-8-2-1-5-17-8/h1-5,15-16H,6H2/b4-3+
InChIKeyMPHFSIYFSXOZEZ-ONEGZZNKSA-N
XLogP2.36
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The IUPAC name of 3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol (CID 5290045) is 3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol.
What is the SMILES notation for 3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The canonical SMILES for 3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol is OC1(C(F)(F)F)CC(/C=C/c2cccs2)=NN1.
What is the InChIKey of 3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The InChIKey is MPHFSIYFSXOZEZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H9F3N2OS/c11-10(12,13)9(16)6-7(14-15-9)3-4-8-2-1-5-17-8/h1-5,15-16H,6H2/b4-3+.
What are the key properties of 3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol has a molecular weight of 262.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol is sourced from PubChem (CID 5290045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).