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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Related Compounds

4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489
1-[[3-[[4-(1H-pyrazol-4-yl)triazol-1-yl]methyl]phenyl]methyl]piperidine
CID 167830431
5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine
CID 147598461
3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole
CID 175294530
diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane
CID 102256886
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylate;1H-pyrazole-4-carboxylic acid
CID 175889479
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
N-(1H-pyrazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 54897039
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
[2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine
CID 166325528
1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
CID 24633183
(2S)-2-[3-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 162667574

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).