1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole

C19H14F3N5 — CID 150482255

IUPAC1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
SMILESFC(F)(F)c1ccc(-c2cn(Cc3ccc(-c4cn[nH]c4)cc3)nn2)cc1
InChIInChI=1S/C19H14F3N5/c20-19(21,22)17-7-5-15(6-8-17)18-12-27(26-25-18)11-13-1-3-14(4-2-13)16-9-23-24-10-16/h1-10,12H,11H2,(H,23,24)
InChIKeyHUBIPQNHRKHYAE-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.40
Rot. Bonds4

About 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole

1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole (PubChem CID 150482255) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
PubChem CID150482255
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC Name1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
SMILESFC(F)(F)c1ccc(-c2cn(Cc3ccc(-c4cn[nH]c4)cc3)nn2)cc1
InChIInChI=1S/C19H14F3N5/c20-19(21,22)17-7-5-15(6-8-17)18-12-27(26-25-18)11-13-1-3-14(4-2-13)16-9-23-24-10-16/h1-10,12H,11H2,(H,23,24)
InChIKeyHUBIPQNHRKHYAE-UHFFFAOYSA-N
XLogP4.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole (CID 150482255) is 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole is FC(F)(F)c1ccc(-c2cn(Cc3ccc(-c4cn[nH]c4)cc3)nn2)cc1.
What is the InChIKey of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole?
The InChIKey is HUBIPQNHRKHYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c20-19(21,22)17-7-5-15(6-8-17)18-12-27(26-25-18)11-13-1-3-14(4-2-13)16-9-23-24-10-16/h1-10,12H,11H2,(H,23,24).
What are the key properties of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole?
1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole has a molecular weight of 369.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 150482255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).