3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine

C14H10F3N3O — CID 155545122

IUPAC3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2ccnc(-c3cccc(OC(F)(F)F)c3)c12
InChIInChI=1S/C14H10F3N3O/c1-8-12-11(20-19-8)5-6-18-13(12)9-3-2-4-10(7-9)21-14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyRHYJQLGBMLDLMM-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.83
Rot. Bonds2

About 3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine

3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine (PubChem CID 155545122) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine
PubChem CID155545122
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2ccnc(-c3cccc(OC(F)(F)F)c3)c12
InChIInChI=1S/C14H10F3N3O/c1-8-12-11(20-19-8)5-6-18-13(12)9-3-2-4-10(7-9)21-14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyRHYJQLGBMLDLMM-UHFFFAOYSA-N
XLogP3.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine (CID 155545122) is 3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine is Cc1[nH]nc2ccnc(-c3cccc(OC(F)(F)F)c3)c12.
What is the InChIKey of 3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is RHYJQLGBMLDLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-8-12-11(20-19-8)5-6-18-13(12)9-3-2-4-10(7-9)21-14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine?
3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 293.25 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 155545122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).