3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine

C14H10F3N3 — CID 169173168

IUPAC3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)c2ncccc12
InChIInChI=1S/C14H10F3N3/c1-9-12-3-2-8-18-13(12)20(19-9)11-6-4-10(5-7-11)14(15,16)17/h2-8H,1H3
InChIKeyDSXRATQNUCZAGE-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.75
Rot. Bonds1

About 3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine

3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine (PubChem CID 169173168) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine
PubChem CID169173168
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)c2ncccc12
InChIInChI=1S/C14H10F3N3/c1-9-12-3-2-8-18-13(12)20(19-9)11-6-4-10(5-7-11)14(15,16)17/h2-8H,1H3
InChIKeyDSXRATQNUCZAGE-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine
CID 13359275
4-[2,5-dimethyl-4-[8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344196
3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 131896163
3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
CID 102441291
5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254924
3-bromo-1-(3-chloro-4-methylphenyl)pyrazolo[5,4-b]pyridine
CID 84605261
3-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 118614458
(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanol
CID 62789626
N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 46093274
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457031
2-[2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11566711
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 53195787

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine (CID 169173168) is 3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccc(C(F)(F)F)cc2)c2ncccc12.
What is the InChIKey of 3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine?
The InChIKey is DSXRATQNUCZAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c1-9-12-3-2-8-18-13(12)20(19-9)11-6-4-10(5-7-11)14(15,16)17/h2-8H,1H3.
What are the key properties of 3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine?
3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine has a molecular weight of 277.25 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 169173168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).