5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole

C13H14F6N4 — CID 173140141

IUPAC5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1CCc1cn[nH]c1CC(F)(F)F
InChIInChI=1S/C13H14F6N4/c1-2-9-5-11(13(17,18)19)22-23(9)4-3-8-7-20-21-10(8)6-12(14,15)16/h5,7H,2-4,6H2,1H3,(H,20,21)
InChIKeyMDLWKIBUMYFNHB-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.53
Rot. Bonds5

About 5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole

5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole (PubChem CID 173140141) has the molecular formula C13H14F6N4 and a molecular weight of 340.27 g/mol. Its IUPAC name is 5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole
PubChem CID173140141
Molecular FormulaC13H14F6N4
Molecular Weight340.27 g/mol
Exact Mass340.11
IUPAC Name5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1CCc1cn[nH]c1CC(F)(F)F
InChIInChI=1S/C13H14F6N4/c1-2-9-5-11(13(17,18)19)22-23(9)4-3-8-7-20-21-10(8)6-12(14,15)16/h5,7H,2-4,6H2,1H3,(H,20,21)
InChIKeyMDLWKIBUMYFNHB-UHFFFAOYSA-N
XLogP3.53
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1',3'-dimethyl-1H,1'H-3,4'-bipyrazole
CID 7147386
3-[3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-amine
CID 19614643
3-(3-(1,3-dimethyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 19614685
1'-Ethyl-3'-methyl-1'H,2H-3,4'-bipyrazole
CID 7017815
3-[1'-ethyl-5-(trifluoromethyl)-1H,1'H-3,4'-bipyrazol-1-yl]propan-1-amine
CID 19614698
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 72121352
1-ethyl-3,5-dimethyl-4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 118739821
1-[2-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]pyrazole-4-carbonitrile
CID 96104191
(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 97019118
(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine
CID 97837440
1-(5-methyl-1H-pyrazol-3-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-2-amine
CID 136537212
5-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 136545792

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole (CID 173140141) is 5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole is CCc1cc(C(F)(F)F)nn1CCc1cn[nH]c1CC(F)(F)F.
What is the InChIKey of 5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is MDLWKIBUMYFNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6N4/c1-2-9-5-11(13(17,18)19)22-23(9)4-3-8-7-20-21-10(8)6-12(14,15)16/h5,7H,2-4,6H2,1H3,(H,20,21).
What are the key properties of 5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole?
5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 340.27 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 173140141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).