2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

C13H16F3N5 — CID 166760072

IUPAC2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCC1NCCc2c1nn(C)c2-c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C13H16F3N5/c1-7-11-8(4-5-17-7)12(21(3)19-11)9-6-10(13(14,15)16)18-20(9)2/h6-7,17H,4-5H2,1-3H3
InChIKeyGUZCRBRSAWIDNK-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.05
Rot. Bonds1

About 2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 166760072) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID166760072
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCC1NCCc2c1nn(C)c2-c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C13H16F3N5/c1-7-11-8(4-5-17-7)12(21(3)19-11)9-6-10(13(14,15)16)18-20(9)2/h6-7,17H,4-5H2,1-3H3
InChIKeyGUZCRBRSAWIDNK-UHFFFAOYSA-N
XLogP2.05
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 166760072) is 2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is CC1NCCc2c1nn(C)c2-c1cc(C(F)(F)F)nn1C.
What is the InChIKey of 2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is GUZCRBRSAWIDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-7-11-8(4-5-17-7)12(21(3)19-11)9-6-10(13(14,15)16)18-20(9)2/h6-7,17H,4-5H2,1-3H3.
What are the key properties of 2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 299.30 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 166760072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).