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

C15H16FN5 — CID 50955118

IUPAC1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole
SMILESCCC(c1nc(C)nn1-c1ccc(F)cc1)n1cccn1
InChIInChI=1S/C15H16FN5/c1-3-14(20-10-4-9-17-20)15-18-11(2)19-21(15)13-7-5-12(16)6-8-13/h4-10,14H,3H2,1-2H3
InChIKeyHQVJTPXLZLPZOU-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.91
Rot. Bonds4

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

1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole (PubChem CID 50955118) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole
PubChem CID50955118
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole
SMILESCCC(c1nc(C)nn1-c1ccc(F)cc1)n1cccn1
InChIInChI=1S/C15H16FN5/c1-3-14(20-10-4-9-17-20)15-18-11(2)19-21(15)13-7-5-12(16)6-8-13/h4-10,14H,3H2,1-2H3
InChIKeyHQVJTPXLZLPZOU-UHFFFAOYSA-N
XLogP2.91
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole (CID 50955118) is 1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole is CCC(c1nc(C)nn1-c1ccc(F)cc1)n1cccn1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole?
The InChIKey is HQVJTPXLZLPZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-3-14(20-10-4-9-17-20)15-18-11(2)19-21(15)13-7-5-12(16)6-8-13/h4-10,14H,3H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole?
1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole has a molecular weight of 285.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazole is sourced from PubChem (CID 50955118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).