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

C18H13F3N6 — CID 161224858

IUPAC4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine
SMILESCc1cc(C(F)(F)F)n(-c2ccc(-n3cc(-c4ccncc4)nn3)cc2)n1
InChIInChI=1S/C18H13F3N6/c1-12-10-17(18(19,20)21)27(24-12)15-4-2-14(3-5-15)26-11-16(23-25-26)13-6-8-22-9-7-13/h2-11H,1H3
InChIKeyUXZFMYJCHPMVBN-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.84
Rot. Bonds3

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

4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine (PubChem CID 161224858) has the molecular formula C18H13F3N6 and a molecular weight of 370.34 g/mol. Its IUPAC name is 4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine
PubChem CID161224858
Molecular FormulaC18H13F3N6
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC Name4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine
SMILESCc1cc(C(F)(F)F)n(-c2ccc(-n3cc(-c4ccncc4)nn3)cc2)n1
InChIInChI=1S/C18H13F3N6/c1-12-10-17(18(19,20)21)27(24-12)15-4-2-14(3-5-15)26-11-16(23-25-26)13-6-8-22-9-7-13/h2-11H,1H3
InChIKeyUXZFMYJCHPMVBN-UHFFFAOYSA-N
XLogP3.84
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-phenyltriazole
CID 160878289
4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-(4-phenoxyphenyl)triazole
CID 159194219
4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzaldehyde
CID 18449041
1-[4-(1-pyridin-4-yltriazol-4-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 155432995
1-(diaminomethylidene)-2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]guanidine
CID 168606004
2-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]anilino]methylidene]propanedinitrile
CID 168545553
4-[1-(trifluoromethyl)triazol-4-yl]pyridine
CID 171362995
4-[1-(4-methylphenyl)triazol-4-yl]phenol
CID 160861488
1-(4-chlorophenyl)-4-(4-methylphenyl)triazole
CID 134686857
3-[1-(4-methylphenyl)triazol-4-yl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 53169940
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
4-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]aniline
CID 82369720

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine?
The IUPAC name of 4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine (CID 161224858) is 4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine?
The canonical SMILES for 4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine is Cc1cc(C(F)(F)F)n(-c2ccc(-n3cc(-c4ccncc4)nn3)cc2)n1.
What is the InChIKey of 4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine?
The InChIKey is UXZFMYJCHPMVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6/c1-12-10-17(18(19,20)21)27(24-12)15-4-2-14(3-5-15)26-11-16(23-25-26)13-6-8-22-9-7-13/h2-11H,1H3.
What are the key properties of 4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine?
4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine has a molecular weight of 370.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine is sourced from PubChem (CID 161224858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).