4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole

C19H14F3N5 — CID 160878289

IUPAC4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole
SMILESCc1cc(C(F)(F)F)n(-c2ccc(-c3cn(-c4ccccc4)nn3)cc2)n1
InChIInChI=1S/C19H14F3N5/c1-13-11-18(19(20,21)22)27(24-13)16-9-7-14(8-10-16)17-12-26(25-23-17)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeySMRQZGLCNNCJBM-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.45
Rot. Bonds3

About 4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole

4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole (PubChem CID 160878289) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole.

Molecular Properties

Compound Name4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole
PubChem CID160878289
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC Name4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole
SMILESCc1cc(C(F)(F)F)n(-c2ccc(-c3cn(-c4ccccc4)nn3)cc2)n1
InChIInChI=1S/C19H14F3N5/c1-13-11-18(19(20,21)22)27(24-13)16-9-7-14(8-10-16)17-12-26(25-23-17)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeySMRQZGLCNNCJBM-UHFFFAOYSA-N
XLogP4.45
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-(4-phenoxyphenyl)triazole
CID 159194219
4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine
CID 161224858
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzaldehyde
CID 18449041
ethane;4-(1-phenyltriazol-4-yl)benzaldehyde
CID 91438948
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
[4-(4-phenyltriazol-1-yl)phenyl]borane
CID 143877764
pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane
CID 102367699
4-[1-(4-methylphenyl)triazol-4-yl]phenol
CID 160861488
1-(4-chlorophenyl)-4-(4-methylphenyl)triazole
CID 134686857
3-[1-(4-phenylphenyl)triazol-4-yl]benzoic acid
CID 156834067

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole?
The IUPAC name of 4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole (CID 160878289) is 4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole.
What is the SMILES notation for 4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole?
The canonical SMILES for 4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole is Cc1cc(C(F)(F)F)n(-c2ccc(-c3cn(-c4ccccc4)nn3)cc2)n1.
What is the InChIKey of 4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole?
The InChIKey is SMRQZGLCNNCJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c1-13-11-18(19(20,21)22)27(24-13)16-9-7-14(8-10-16)17-12-26(25-23-17)15-5-3-2-4-6-15/h2-12H,1H3.
What are the key properties of 4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole?
4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole has a molecular weight of 369.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole is sourced from PubChem (CID 160878289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).