(7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

C15H17F2N3O — CID 146457142

IUPAC(7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESC[C@@H]1NCCc2c1nn(C)c2-c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2N3O/c1-9-13-12(6-7-18-9)14(20(2)19-13)10-4-3-5-11(8-10)21-15(16)17/h3-5,8-9,15,18H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyCQRBNMMUMVCUPC-VIFPVBQESA-N
MW293.32 g/mol
LogP2.90
Rot. Bonds3

About (7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

(7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 146457142) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is (7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name(7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID146457142
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESC[C@@H]1NCCc2c1nn(C)c2-c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2N3O/c1-9-13-12(6-7-18-9)14(20(2)19-13)10-4-3-5-11(8-10)21-15(16)17/h3-5,8-9,15,18H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyCQRBNMMUMVCUPC-VIFPVBQESA-N
XLogP2.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of (7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 146457142) is (7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for (7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for (7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is C[C@@H]1NCCc2c1nn(C)c2-c1cccc(OC(F)F)c1.
What is the InChIKey of (7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is CQRBNMMUMVCUPC-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-9-13-12(6-7-18-9)14(20(2)19-13)10-4-3-5-11(8-10)21-15(16)17/h3-5,8-9,15,18H,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
(7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 293.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-[3-(difluoromethoxy)phenyl]-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 146457142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).