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

C13H15F4N5 — CID 136545792

IUPAC5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)Cn1cc(CN2CCc3[nH]nc(C(F)F)c3C2)cn1
InChIInChI=1S/C13H15F4N5/c14-11(15)7-22-5-8(3-18-22)4-21-2-1-10-9(6-21)12(13(16)17)20-19-10/h3,5,11,13H,1-2,4,6-7H2,(H,19,20)
InChIKeyGXJXBLXFBUPXRR-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.37
Rot. Bonds5

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

5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 136545792) has the molecular formula C13H15F4N5 and a molecular weight of 317.29 g/mol. Its IUPAC name is 5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID136545792
Molecular FormulaC13H15F4N5
Molecular Weight317.29 g/mol
Exact Mass317.13
IUPAC Name5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)Cn1cc(CN2CCc3[nH]nc(C(F)F)c3C2)cn1
InChIInChI=1S/C13H15F4N5/c14-11(15)7-22-5-8(3-18-22)4-21-2-1-10-9(6-21)12(13(16)17)20-19-10/h3,5,11,13H,1-2,4,6-7H2,(H,19,20)
InChIKeyGXJXBLXFBUPXRR-UHFFFAOYSA-N
XLogP2.37
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 136545792) is 5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is FC(F)Cn1cc(CN2CCc3[nH]nc(C(F)F)c3C2)cn1.
What is the InChIKey of 5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is GXJXBLXFBUPXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N5/c14-11(15)7-22-5-8(3-18-22)4-21-2-1-10-9(6-21)12(13(16)17)20-19-10/h3,5,11,13H,1-2,4,6-7H2,(H,19,20).
What are the key properties of 5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 317.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 136545792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).