ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole

C14H19F3N4O — CID 178058003

IUPACethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole
SMILESCC.Cn1nc(C(F)(F)F)cc1-c1ccn(C2CCOC2)n1
InChIInChI=1S/C12H13F3N4O.C2H6/c1-18-10(6-11(17-18)12(13,14)15)9-2-4-19(16-9)8-3-5-20-7-8;1-2/h2,4,6,8H,3,5,7H2,1H3;1-2H3
InChIKeyAOGBHIQDDZUEKL-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.29
Rot. Bonds2

About ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole

ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole (PubChem CID 178058003) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole
PubChem CID178058003
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Nameethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole
SMILESCC.Cn1nc(C(F)(F)F)cc1-c1ccn(C2CCOC2)n1
InChIInChI=1S/C12H13F3N4O.C2H6/c1-18-10(6-11(17-18)12(13,14)15)9-2-4-19(16-9)8-3-5-20-7-8;1-2/h2,4,6,8H,3,5,7H2,1H3;1-2H3
InChIKeyAOGBHIQDDZUEKL-UHFFFAOYSA-N
XLogP3.29
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole (CID 178058003) is ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole is CC.Cn1nc(C(F)(F)F)cc1-c1ccn(C2CCOC2)n1.
What is the InChIKey of ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole?
The InChIKey is AOGBHIQDDZUEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O.C2H6/c1-18-10(6-11(17-18)12(13,14)15)9-2-4-19(16-9)8-3-5-20-7-8;1-2/h2,4,6,8H,3,5,7H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole?
ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole has a molecular weight of 316.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 178058003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).