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

C20H16F3N5 — CID 150336955

IUPAC1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
SMILESCn1cc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cn1
InChIInChI=1S/C20H16F3N5/c1-27-12-17(10-24-27)15-4-2-14(3-5-15)11-28-13-19(25-26-28)16-6-8-18(9-7-16)20(21,22)23/h2-10,12-13H,11H2,1H3
InChIKeyGQWMMMAUWHLIBA-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.41
Rot. Bonds4

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

1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole (PubChem CID 150336955) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
PubChem CID150336955
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
SMILESCn1cc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cn1
InChIInChI=1S/C20H16F3N5/c1-27-12-17(10-24-27)15-4-2-14(3-5-15)11-28-13-19(25-26-28)16-6-8-18(9-7-16)20(21,22)23/h2-10,12-13H,11H2,1H3
InChIKeyGQWMMMAUWHLIBA-UHFFFAOYSA-N
XLogP4.41
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
1-(4-Methylbenzyl)-4-phenyl-1 h-1,2,3-triazole
CID 14612069
3-[4-[[4-(4-Methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155542000
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
4-(2-fluorophenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 141538430
1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
CID 150482255
1-[[4-(1-Methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole
CID 151105657
1-[[4-(1-Methylpyrazol-4-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]triazole
CID 151428103
4-(3-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152015157
3-(2-Fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 155591385

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole (CID 150336955) is 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole is Cn1cc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cn1.
What is the InChIKey of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole?
The InChIKey is GQWMMMAUWHLIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c1-27-12-17(10-24-27)15-4-2-14(3-5-15)11-28-13-19(25-26-28)16-6-8-18(9-7-16)20(21,22)23/h2-10,12-13H,11H2,1H3.
What are the key properties of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole?
1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole has a molecular weight of 383.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 150336955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).