ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol

C8H15F3N2O — CID 144789993

IUPACethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol
SMILESCC.CCN1NC(C(F)(F)F)C=C1O
InChIInChI=1S/C6H9F3N2O.C2H6/c1-2-11-5(12)3-4(10-11)6(7,8)9;1-2/h3-4,10,12H,2H2,1H3;1-2H3
InChIKeyXXGZOIOIZNOAMN-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.18
Rot. Bonds1

About ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol

ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol (PubChem CID 144789993) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol.

Molecular Properties

Compound Nameethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol
PubChem CID144789993
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Nameethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol
SMILESCC.CCN1NC(C(F)(F)F)C=C1O
InChIInChI=1S/C6H9F3N2O.C2H6/c1-2-11-5(12)3-4(10-11)6(7,8)9;1-2/h3-4,10,12H,2H2,1H3;1-2H3
InChIKeyXXGZOIOIZNOAMN-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol?
The IUPAC name of ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol (CID 144789993) is ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol.
What is the SMILES notation for ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol?
The canonical SMILES for ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol is CC.CCN1NC(C(F)(F)F)C=C1O.
What is the InChIKey of ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol?
The InChIKey is XXGZOIOIZNOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O.C2H6/c1-2-11-5(12)3-4(10-11)6(7,8)9;1-2/h3-4,10,12H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol?
ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol has a molecular weight of 212.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-(trifluoromethyl)-1,5-dihydropyrazol-3-ol is sourced from PubChem (CID 144789993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).