3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C15H20F3N5 — CID 72930138

IUPAC3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESFC(F)(F)Cn1nc(C2CCCC2)nc1CCCc1cn[nH]c1
InChIInChI=1S/C15H20F3N5/c16-15(17,18)10-23-13(7-3-4-11-8-19-20-9-11)21-14(22-23)12-5-1-2-6-12/h8-9,12H,1-7,10H2,(H,19,20)
InChIKeyCEVFVRISZCKYAU-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.40
Rot. Bonds6

About 3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 72930138) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID72930138
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESFC(F)(F)Cn1nc(C2CCCC2)nc1CCCc1cn[nH]c1
InChIInChI=1S/C15H20F3N5/c16-15(17,18)10-23-13(7-3-4-11-8-19-20-9-11)21-14(22-23)12-5-1-2-6-12/h8-9,12H,1-7,10H2,(H,19,20)
InChIKeyCEVFVRISZCKYAU-UHFFFAOYSA-N
XLogP3.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 72930138) is 3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is FC(F)(F)Cn1nc(C2CCCC2)nc1CCCc1cn[nH]c1.
What is the InChIKey of 3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is CEVFVRISZCKYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c16-15(17,18)10-23-13(7-3-4-11-8-19-20-9-11)21-14(22-23)12-5-1-2-6-12/h8-9,12H,1-7,10H2,(H,19,20).
What are the key properties of 3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 327.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[3-(1H-pyrazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 72930138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).