4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole

C10H11F3N4 — CID 91571073

IUPAC4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole
SMILESFC(F)(F)Cc1[nH]ncc1CCn1cccn1
InChIInChI=1S/C10H11F3N4/c11-10(12,13)6-9-8(7-14-16-9)2-5-17-4-1-3-15-17/h1,3-4,7H,2,5-6H2,(H,14,16)
InChIKeyLACXICJLEPUAED-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.95
Rot. Bonds4

About 4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole

4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole (PubChem CID 91571073) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole
PubChem CID91571073
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole
SMILESFC(F)(F)Cc1[nH]ncc1CCn1cccn1
InChIInChI=1S/C10H11F3N4/c11-10(12,13)6-9-8(7-14-16-9)2-5-17-4-1-3-15-17/h1,3-4,7H,2,5-6H2,(H,14,16)
InChIKeyLACXICJLEPUAED-UHFFFAOYSA-N
XLogP1.95
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
The IUPAC name of 4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole (CID 91571073) is 4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
The canonical SMILES for 4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole is FC(F)(F)Cc1[nH]ncc1CCn1cccn1.
What is the InChIKey of 4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
The InChIKey is LACXICJLEPUAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c11-10(12,13)6-9-8(7-14-16-9)2-5-17-4-1-3-15-17/h1,3-4,7H,2,5-6H2,(H,14,16).
What are the key properties of 4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole has a molecular weight of 244.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylethyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazole is sourced from PubChem (CID 91571073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).