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

C11H15F2N3 — CID 126791233

IUPAC5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFC1(F)CC(CN2CCc3[nH]ncc3C2)C1
InChIInChI=1S/C11H15F2N3/c12-11(13)3-8(4-11)6-16-2-1-10-9(7-16)5-14-15-10/h5,8H,1-4,6-7H2,(H,14,15)
InChIKeyOVDKUGCZOMOZAP-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.81
Rot. Bonds2

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

5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 126791233) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID126791233
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFC1(F)CC(CN2CCc3[nH]ncc3C2)C1
InChIInChI=1S/C11H15F2N3/c12-11(13)3-8(4-11)6-16-2-1-10-9(7-16)5-14-15-10/h5,8H,1-4,6-7H2,(H,14,15)
InChIKeyOVDKUGCZOMOZAP-UHFFFAOYSA-N
XLogP1.81
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 126791233) is 5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is FC1(F)CC(CN2CCc3[nH]ncc3C2)C1.
What is the InChIKey of 5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is OVDKUGCZOMOZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c12-11(13)3-8(4-11)6-16-2-1-10-9(7-16)5-14-15-10/h5,8H,1-4,6-7H2,(H,14,15).
What are the key properties of 5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 227.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 126791233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).