6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

C8H10F3N3 — CID 50992800

IUPAC6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCN1CCc2c(C(F)(F)F)n[nH]c2C1
InChIInChI=1S/C8H10F3N3/c1-14-3-2-5-6(4-14)12-13-7(5)8(9,10)11/h2-4H2,1H3,(H,12,13)
InChIKeyCLMSFAGMHIMNAJ-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.42
Rot. Bonds

About 6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 50992800) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID50992800
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCN1CCc2c(C(F)(F)F)n[nH]c2C1
InChIInChI=1S/C8H10F3N3/c1-14-3-2-5-6(4-14)12-13-7(5)8(9,10)11/h2-4H2,1H3,(H,12,13)
InChIKeyCLMSFAGMHIMNAJ-UHFFFAOYSA-N
XLogP1.42
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 50992800) is 6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is CN1CCc2c(C(F)(F)F)n[nH]c2C1.
What is the InChIKey of 6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is CLMSFAGMHIMNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-14-3-2-5-6(4-14)12-13-7(5)8(9,10)11/h2-4H2,1H3,(H,12,13).
What are the key properties of 6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 205.18 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 50992800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).