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

C15H12F3N3 — CID 153204005

IUPAC3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2ccnc(Cc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C15H12F3N3/c1-9-14-12(21-20-9)5-6-19-13(14)8-10-3-2-4-11(7-10)15(16,17)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyWKLPUCYMADNRDS-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.88
Rot. Bonds2

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

3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine (PubChem CID 153204005) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine
PubChem CID153204005
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2ccnc(Cc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C15H12F3N3/c1-9-14-12(21-20-9)5-6-19-13(14)8-10-3-2-4-11(7-10)15(16,17)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyWKLPUCYMADNRDS-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 123448222
2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 12056714
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 83950321
4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 16674346
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyrazol-3-one
CID 141273226
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
[5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol
CID 115092939
ethyl 1-methyl-5-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylate
CID 88925181
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine (CID 153204005) is 3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine is Cc1[nH]nc2ccnc(Cc3cccc(C(F)(F)F)c3)c12.
What is the InChIKey of 3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is WKLPUCYMADNRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-9-14-12(21-20-9)5-6-19-13(14)8-10-3-2-4-11(7-10)15(16,17)18/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of 3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine?
3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 291.28 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 153204005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).