(7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

C14H15F2N3 — CID 146456643

IUPAC(7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESC[C@H]1NCCc2c1nn(C)c2-c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2N3/c1-8-13-12(3-4-17-8)14(19(2)18-13)9-5-10(15)7-11(16)6-9/h5-8,17H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyOOTQWYCCBSWFSE-MRVPVSSYSA-N
MW263.29 g/mol
LogP2.57
Rot. Bonds1

About (7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

(7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 146456643) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is (7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name(7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID146456643
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESC[C@H]1NCCc2c1nn(C)c2-c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2N3/c1-8-13-12(3-4-17-8)14(19(2)18-13)9-5-10(15)7-11(16)6-9/h5-8,17H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyOOTQWYCCBSWFSE-MRVPVSSYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of (7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 146456643) is (7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for (7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for (7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is C[C@H]1NCCc2c1nn(C)c2-c1cc(F)cc(F)c1.
What is the InChIKey of (7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is OOTQWYCCBSWFSE-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-8-13-12(3-4-17-8)14(19(2)18-13)9-5-10(15)7-11(16)6-9/h5-8,17H,3-4H2,1-2H3/t8-/m1/s1.
What are the key properties of (7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
(7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 263.29 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 146456643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).