5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C10H12F3N5 — CID 131917852

IUPAC5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESFC(F)(F)Cn1ncnc1CCCn1cccn1
InChIInChI=1S/C10H12F3N5/c11-10(12,13)7-18-9(14-8-16-18)3-1-5-17-6-2-4-15-17/h2,4,6,8H,1,3,5,7H2
InChIKeyPAXWSPNZXUDFNA-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.67
Rot. Bonds5

About 5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 131917852) has the molecular formula C10H12F3N5 and a molecular weight of 259.23 g/mol. Its IUPAC name is 5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID131917852
Molecular FormulaC10H12F3N5
Molecular Weight259.23 g/mol
Exact Mass259.10
IUPAC Name5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESFC(F)(F)Cn1ncnc1CCCn1cccn1
InChIInChI=1S/C10H12F3N5/c11-10(12,13)7-18-9(14-8-16-18)3-1-5-17-6-2-4-15-17/h2,4,6,8H,1,3,5,7H2
InChIKeyPAXWSPNZXUDFNA-UHFFFAOYSA-N
XLogP1.67
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole 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 5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 131917852) is 5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is FC(F)(F)Cn1ncnc1CCCn1cccn1.
What is the InChIKey of 5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is PAXWSPNZXUDFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c11-10(12,13)7-18-9(14-8-16-18)3-1-5-17-6-2-4-15-17/h2,4,6,8H,1,3,5,7H2.
What are the key properties of 5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 259.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrazol-1-ylpropyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 131917852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).